01511nas a2200229   4500008004100000022001400041245008800055210006900143260007300212300001000285490000800295520067000303653002200973653001700995653001901012653002201031100002501053700003301078700003001111700001801141856012201159       2012                        eng d  a0920-586100aSimple one pot synthesis of nano gold-mesoporous silica and its oxidation catalysis0 aSimple one pot synthesis of nano goldmesoporous silica and its o  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC  a92-970 v1983 a<p>A simple one pot synthesis strategy using a non ionic triblock copolymer P123 as reducing as well as templating agent has been employed to prepare nano gold particles incorporated in the pores of mesoporous silica catalyst. The catalyst is characterized by XRD, nitrogen adsorption desorption isotherms at 77 K and TEM. The presence of small gold nanopartilces (similar to 2-4 nm) clearly demonstrated that this strategy can be effective in incorporating Au inside mesochannels. The catalyst reduced at 300 degrees C in H-2 was found to be active for oxidation reactions, such as CO oxidation, and benzyl alcohol. (C) 2012 Elsevier B. V. All rights reserved.</p>10aAlcohol oxidation10aCO oxidation10aGold catalysis10aMesoporous silica1 aSekhar, A., C. Sunil1 aSivaranjani, Kumarsrinivasan1 aGopinath, Chinnakonda, S.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/simple-one-pot-synthesis-nano-gold-mesoporous-silica-and-its-oxidation-catalysis-001836nas a2200169   4500008004100000022001400041245019100055210006900246260007100315300001400386490000800400520106600408100001501474700001801489700003001507856012901537       2013                        eng d  a1932-744700aDesign and performance aspects of a custom-built ambient pressure photoelectron spectrometer toward bridging the pressure gap: oxidation of Cu, Ag, and Au surfaces at 1 mbar O-2 pressure0 aDesign and performance aspects of a custombuilt ambient pressure  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAR  a4717-47260 v1173 a<p>The critical features of a custom-built laboratory version ambient pressure photoelectron spectrometer (Lab-APPES) are presented. A double front cone differential pumping arrangement and an aperture free design employed in the electrostatic lens regime improve the data collection and data quality. In contrast to the conventional X-ray photoelectron spectrometers (XPS) operating at ultrahigh vacuum (UHV), it is possible to explore the electronic structure of solid surfaces under working conditions or closer to working conditions with Lab-APPES. Especially surface-dependent phenomena can be explored up to 1 mbar pressure and up to 873 K by conventional heating methods and at least up to 1273 K by a laser heating method. Simultaneous XPS and reaction kinetic measurements on solid surfaces make the Lab-APPES an important tool to measure the dynamic electronic structure changes on material surfaces under reaction conditions. The interaction of O-2 with polycrystalline foils of Cu, Ag, and Au from UHV to 1 mbar and up to 773 K has been studied.</p>1 aRoy, Kanak1 aVinod, C., P.1 aGopinath, Chinnakonda, S.  uhttps://library.ncl.res.in/content/design-and-performance-aspects-custom-built-ambient-pressure-photoelectron-spectrometer-001147nas a2200193   4500008004100000022001400041245010100055210006900156260011000225300001400335490000600349520035800355100002500713700001800738700002800756700003000784700001800814856012100832       2013                        eng d  a2044-475300aSynthesis and catalytic activity of monodisperse gold-mesoporous silica core-shell nanocatalysts0 aSynthesis and catalytic activity of monodisperse goldmesoporous   aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcFEB  a1190-11930 v33 a<p>Core-shell nanostructures, where gold nanoparticles of sub 10 nm size are successfully encapsulated inside porous silica spheres, have been prepared. The detailed characterization of the catalyst shows a high surface area and good mesoporosity. The sinter resistance of the catalyst under repeated cycles of the CO oxidation reaction is observed.</p>1 aSekhar, A., C. Sunil1 aMeera, C., J.1 aZiyad, Kottavarithottil1 aGopinath, Chinnakonda, S.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/synthesis-and-catalytic-activity-monodisperse-gold-mesoporous-silica-core-shell-001293nas a2200169   4500008004100000022001400041245015000055210006900205260011000274300001400384490000600398520053700404100001700941700002200958700001800980856012500998       2014                        eng d  a2040-336400aStructure sensitive chemical reactivity by palladium concave nanocubes and nanoflowers synthesised by a seed mediated procedure in aqueous medium0 aStructure sensitive chemical reactivity by palladium concave nan  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN  a7496-75020 v63 a<p>Palladium nanocubes and their transformation to concave nanocubes and nanoflowers are realised by a seed mediated procedure in aqueous medium and at room temperature using cationic surfactants. The concave nanocubes and nanoflowers were found to be enclosed by high index facets. The under coordinated atoms present on the high index facets make these nanostructures chemically more active towards Suzuki coupling and Heck coupling reactions compared to the conventional nanocubes and spherical nanoparticles of similar size.</p>1 aSreedhal, S.1 aSudheeshkumar, V.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/structure-sensitive-chemical-reactivity-palladium-concave-nanocubes-and-nanoflowers-001234nas a2200169   4500008004100000022001400041245008900055210006900144260007100213300001400284490000800298520057700306100001900883700002500902700001800927856011900945       2015                        eng d  a1932-744700aDemonstration of synergistic catalysis in Au@Ni bimetallic core-shell nanostructures0 aDemonstration of synergistic catalysis in AuNi bimetallic coresh  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a8138-81460 v1193 a<p>Coreshell bimetallic nanoparticles comprised of gold core and varying nickel shell have been synthesized, and their synergistic effect in catalysis is explored through catalytic hydrogenation of p-nitrophenol and p-nitrothiophenol. A clear evidence for synergism in Au@Ni core-shell nanoparticles having an ultrathin Ni shell (1-2 nm) around a Au core (6-10 nm) resulting in enhanced catalytic activity is observed. The rates observed from a thin nickel shell are higher than monometallic Au or Ni nanoparticles of similar size or with a thicker Ni shell of 6-8 nm.</p>1 aVysakh, A., B.1 aBabu, Chinchu, Lizen1 aVinod, C., P.  uhttps://library.ncl.res.in/content/demonstration-synergistic-catalysis-auni-bimetallic-core-shell-nanostructures-001404nas a2200229   4500008004100000022001400041245008300055210006900138260007300207300001200280490000800292520061500300653001700915653001200932653001900944653002200963653002000985100001801005700002201023700001801045856011101063       2015                        eng d  a0920-586100aOxidation catalysis by large trisoctahedral gold nanoparticles: Mind the step!0 aOxidation catalysis by large trisoctahedral gold nanoparticles M  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR  a177-1830 v2443 a<p>To understand the origin of catalysis by gold and to probe the role of defects and interfaces, benchmark reactions namely CO oxidation and benzyl alcohol oxidation were carried out on supported trisoctahedral gold nanoparticles and on the inverse catalyst system. The sizes of these particles which are between 45 nm and 110 nm, are well beyond the quantum size regime and well above the optimum size range where gold is considered to be catalytically active. The periodic steps sites in contact with oxide support interface were able to promote the reaction. (C) 2014 Elsevier B.V. All rights reserved.</p>10aCO oxidation10aDefects10aGold catalysis10aInverse catalysta10aSteps and kinks1 aSreedhala, S.1 aSudheeshkumar, V.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/oxidation-catalysis-large-trisoctahedral-gold-nanoparticles-mind-step-001718nas a2200169   4500008004100000022001400041245010300055210006900158260011000227300001600337490000600353520100600359100001401365700001801379700002301397856012801420       2015                        eng d  a2046-206900aPreparation of mesoporous titanosilicate with isolated Ti active centers for cyclohexene oxidation0 aPreparation of mesoporous titanosilicate with isolated Ti active  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcOCT  a92371-923770 v53 a<p>We report the preparation of mesoporous titanosilicate with active Ti centres using CTAB as the structure directing agent and ethylenediamine as the complexing agent (TSC-ED). The finalmaterial contained isolated Ti4+ centres substituting Si4+ in the mesoporous silica framework. The crucial role played by ethylenediamine in complexing with Ti4+ during the sol-gel process and preventing the phase segregation of TiO2 was studied systematically. The textural parameters, structural order, morphology, nature and co-ordination of Ti species were analyzed using various techniques such as X-ray diffraction (XRD), UV-vis diffused reflectance spectroscopy (UV-vis DRS), UV resonance Raman spectroscopy, Fourier transformed Infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), transition electron microscopy (TEM), and X-ray photoelectron spectroscopy. Finally, the catalysts were tested for catalytic activity in the oxidation of cyclohexene using various oxidants.</p>1 aGupta, S.1 aVinod, C., P.1 aJagadeesan, Dinesh  uhttps://library.ncl.res.in/content/preparation-mesoporous-titanosilicate-isolated-ti-active-centers-cyclohexene-oxidation-001240nas a2200157   4500008004100000022001400041245012200055210006900177260011000246300001600356490000700372520054300379100001800922700001800940856012400958       2015                        eng d  a1359-734500aSurfactant assisted formation of ruthenium nanochains under mild conditions and their catalytic CO oxidation activity0 aSurfactant assisted formation of ruthenium nanochains under mild  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY  a10178-101810 v513 a<p>Spontaneous formation of ruthenium nanochains is accomplished in aqueous medium under mild conditions using a seed mediated protocol with cetyl trimethylammonium bromide (CTAB) as the capping agent. They are formed due to the random self-assembly of Ru seeds of similar to 3.5 nm size. These 1D nanostructures exhibit better catalytic activity towards the oxidation of CO relative to the similar to 3.5 nmseeds and 6 nm Ru nanospheres. The synthesis strategy adopted here is found to be simple, facile and environmentally friendly.</p>1 aSreedhala, S.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/surfactant-assisted-formation-ruthenium-nanochains-under-mild-conditions-and-their-001584nas a2200217   4500008004100000022001400041245006300055210006200118260009500180300001200275490000800287520083200295653001701127653002201144653002101166653002601187100001801213700002201231700001801253856009501271       2016                        eng d  a0021-951700aCO oxidation on large high-index faceted Pd nanostructures0 aCO oxidation on large highindex faceted Pd nanostructures  a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcMAY  a138-1440 v3373 a<p>The structure sensitivity of CO oxidation has been investigated on oxide-supported palladium nanoparticles of different morphologies. The reactivity of concave nanocubes and nanoflowers that expose {3 1 0} and {3 1 1} high-index facets showed a lower onset temperature for CO oxidation than Pd nanospheres of size around 6 nm. These concave nanocubes and nanoflowers were also found to catalyze the CO oxidation reaction more efficiently than simple cubes and spheres of similar size that exposed low-index facets. The enhanced activity of these nanoparticles compared with other morphologies are attributed to the presence of sites of under-coordination on the exposed high-index facets. The larger nanoparticles were also found to be more stable in the reaction environment. (C) 2016 Elsevier Inc. All rights reserved.</p>10aCO oxidation10aHigh-index facets10aPd nanoparticles10astructure sensitivity1 aSreedhala, S.1 aSudheeshkumar, V.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/co-oxidation-large-high-index-faceted-pd-nanostructures02744nas a2200241   4500008004100000022001400041245015300055210006900208260007300277300001200350490000800362520179300370653002802163653003602191653001602227653003702243100001702280700002102297700002002318700001802338700001802356856012802374       2016                        eng d  a0926-860X00aCorrelating the role of hydrophilic/hydrophobic nature of Rh(I) and Ru(II) supported organosilica/silica catalysts in organotransformation reactions0 aCorrelating the role of hydrophilichydrophobic nature of RhI and  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR  a138-1460 v5133 a<p>Highly reactive and hydrophobic triphenyl phosphine based rhodium(I) and ruthenium(II) organometallic complexes over benzene containing periodic mesoporous organosilica (PMOB) have been synthesized. This has been achieved by the immobilization of neat metal complexes like RhCl(PPh3)(3) [Wilkinson catalyst], RuHCl(CO)(PPh3)(3) and RuCl2(PPh3)(3) over aminofunctionalized PMOB to get RhCl(PPh3)(2)-PrNH2PMOB, RuHCl(CO)(PPh3)(2)-PrNH2PMOB and RuCl2(PPh3)(3)-PrNH2PMOB, respectively. The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption analyses, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, SEM, TEM and contact angle measurements. The XRD and N-2 sorption analyses showed excellent textural properties with ordered mesoporous channel structure of all synthesized catalysts. The organic moieties anchored in PMOB were confirmed by C-13 CPMAS NMR and Fr-IR spectroscopy with Si-29 CPMAS NMR spectroscopy providing the information about the degree of functionalization of surface silanol groups with organic moiety. The Rh(I) and Ru(II) complexes supported on MCM-41/SBA-15/PMOE (ethane-PMO) were synthesized, and their catalytic activities in hydrogenation and sulfoxidation reactions were compared with Rh(I) and Ru(II) complexes supported on PMOB. The results show that PMOB based catalysts exhibit higher activities and selectivities than MCM-41/SBA-15/PMOB supported catalysts, neat homogeneous complexes and without catalyst. The better catalytic performance of PMOB based catalyst is attributed to the hydrophobic nature and high surface area of the PMOB support. The recycling studies of anchored catalysts show no major deactivation of the catalyst. (C) 2015 Elsevier B.V. All rights reserved.</p>10aHeterogeneous catalysts10aHydrogenation and sulfoxidation10aHydrophobic10aPeriodic mesoporous organosilica1 aLazar, Anish1 aGeorge, Shoy, C.1 aJithesh, P., R.1 aVinod, C., P.1 aSingh, A., P.  uhttps://library.ncl.res.in/content/correlating-role-hydrophilichydrophobic-nature-rhi-and-ruii-supported-organosilicasilica01821nas a2200241   4500008004100000022001400041245019800055210006900253260007300322300000800395490000800403520084100411653001701252653001801269653002201287653003301309653003601342100001801378700002301396700001801419700001801437856012401455       2016                        eng d  a0926-860X00aLarge trisoctahedral Au nanoparticles encapsulated inside porous silica catalyses CO oxidation at room temperature: probing the effect of encapsulation and the role of step atoms and interfaces0 aLarge trisoctahedral Au nanoparticles encapsulated inside porous  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG  a1-70 v5243 a<p>As envisaged, a synthesis strategy is reported for encapsulating high index faceted trisoctahedral Au nanoparticles inside porous silica to preserve nanoparticle size by preventing sintering. Further, to probe the role of interfaces an active metal oxide junction was created by decorating trisoctahedral (TOH) Au nanoparticle with nano oxides before silica encapsulation. The activity of these catalysts was tested for CO oxidation reaction. The reaction was found to be facile on these encapsulated large structured Au nanoparticles showing appreciable activity at room temperature compared to non encapsulated counterparts. Apart from preventing sintering, the improved activity is demonstrated due to the retention of morphology and thereby the active centres due to encapsulation. (C) 2016 Elsevier B.V. All rights reserved.</p>10aDefect sites10aEncapsulation10aHigh index facets10aMetal-oxide active perimeter10aTrisoctahedral Au nanoparticles1 aSreedhala, S.1 aMaheshwari, Shruti1 aBetsy, K., J.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/large-trisoctahedral-au-nanoparticles-encapsulated-inside-porous-silica-catalyses-co01197nas a2200193   4500008004100000022001400041245011300055210006900168260011000237300001200347490000600359520041800365100001900783700001700802700001800819700001800837700001800855856013000873       2016                        eng d  a2044-475300aPhenylacetylene hydrogenation on Au@Ni bimetallic core-shell nanoparticles synthesized under mild conditions0 aPhenylacetylene hydrogenation on AuNi bimetallic coreshell nanop  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJAN  a708-7120 v63 a<p>The synthesis of Au@Ni bimetallic core-shell nanoparticles through an energy efficient (lower temperature) route in oleylamine following a sequential reduction strategy is reported. The method is found to be useful for the synthesis of a very thin nickel shell (2 nm) over a gold core (15 nm). Synergistic effects are observed in catalyzing phenylacetylene hydrogenation under different solvent conditions.</p>1 aVysakh, A., B.1 aLazar, Anish1 aYadukiran, V.1 aSingh, A., P.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/phenylacetylene-hydrogenation-auni-bimetallic-core-shell-nanoparticles-synthesized-under-002106nas a2200193   4500008004100000245008300041210006900124260000800193300000900201490000600210520145500216100001801671700002301689700002601712700001501738700001801753700003001771856011101801       2016                        eng d00aPorous thin films towards bridging the material gap in heterogeneous catalysis0 aPorous thin films towards bridging the material gap in heterogen  cMAR  a1-120 v23 a<p>An attempt has been made to bridge the material gap, existing between ideal single crystals and real-world powder nanocatalyst employed in surface science and heterogeneous catalysis, respectively. Simple wet chemical method (sol–gel and spin-coating deposition) has been applied to make continuous Ce1 − xZrxO2 (x = 0–1) (CZ) thin films with uniform thickness (~40 nm) and smooth surface characteristics. Uniform thickness and surface smoothness of the films over a large area was supported by a variety of measurements. Molecular beam (MB) studies of O2 adsorption on CZ surfaces reveals the oxygen storage capacity (OSC), and sticking coefficient increases from 400 to 800 K. Porous nature of Ce-rich CZ compositions enhances O2 adsorption and OSC, predominantly due to O-diffusion and redox nature, even at 400 K. A good correlation exists between MB measurements made on CZ films for oxygen adsorption, and OSC, and ambient pressure CO oxidation on powder form of CZ; this demonstrates the large potential to bridge the material gap. CZ was particularly chosen as a model system for the present studies, since it has been well-studied and a correlation between surface science properties made on thin films and catalysis on powder CZ materials could be a litmus test. Ambient catalysis on ceria-zirconia nanocatalyst correlates well with surface properties measured through molecular beam on thinfilm and close the material gap.</p>1 aDubey, Anjani1 aKolekar, Sadhu, K.1 aGnanakumar, Edwin, S.1 aRoy, Kanak1 aVinod, C., P.1 aGopinath, Chinnakonda, S.  uhttps://library.ncl.res.in/content/porous-thin-films-towards-bridging-material-gap-heterogeneous-catalysis01597nas a2200193   4500008004100000022001400041245011300055210006900168260000900237300001400246490000800260520089100268100001701159700003001176700002101206700002901227700001801256856012901274       2017                        eng d  a1932-744700aConvenient route for Au@Ti-SiO2 nanocatalyst synthesis and its application for room temperature CO oxidation0 aConvenient route for AuTiSiO2 nanocatalyst synthesis and its app  cMAR   a4946-49570 v1213 a<p>Small gold nanoparticles.of size less than 5 nm encapsulated inside titanium modified silica shell have been reported. Here, a modified sol-gel method, which is a one-step process, produces Au@Ti-SiO2 nanocatalyst with a good control of titanium loading. With a titanium loading of 0.9 and 2.2 wt % in silica, unprecedented low temperature activity (full conversion) is observed for this catalyst for CO oxidation reaction compared to Au@SiO2 catalyst. A combination of optimum sized gold nanoparticles with a large amount of oxygen vacancies created due to Ti incorporation in silica matrix is considered to be the reason for this enhanced catalytic activity. The size of.gold nanoparticles is maintained even after high temperature pretreatments, which show the benefit of encapsulation. The effect of the various pretreatments on the catalytic activity has also been reported.</p>1 aSoni, Yogita1 aKumar, Anumol, Erumpukuth1 aNayak, Chandrani1 aDeepak, Francis, Leonard1 aVinod, C., P.  uhttps://library.ncl.res.in/content/convenient-route-auti-sio2-nanocatalyst-synthesis-and-its-application-room-temperature-co01799nas a2200181   4500008004100000022001400041245012100055210006900176260000900245300001400254490000600268520112600274100002601400700001601426700003001442700001801472856012701490       2017                        eng d  a2044-475300aDiverse reactivity trends of Ni surfaces in Au@Ni core-shell nanoparticles probed by near ambient pressure (NAP) XPS0 aDiverse reactivity trends of Ni surfaces in AuNi coreshell nanop  cOCT   a4489-44980 v73 aA mild temperature sequential reduction method in aqueous medium is reported for the synthesis of Au@Ni nanoparticles with a core-shell morphology. The nickel shell thickness with a gold core in the nanostructure can be tuned from 2 nm up to about 10 nm. Near ambient pressure XPS (NAPXPS) studies under oxygen atmosphere show that Au-80@Ni-20 with an extremely thin nickel shell (similar to 2 nm) follows a distinctly different decomposition pathway of metastable Ni(OOH) species compared to those with larger shell thickness which behave more like individual nickel surfaces. Thus, Ni(OOH) on Au-80@Ni-20 decomposes to metallic Ni at 100 degrees C and is found to resist oxidation at 0.1 mbar oxygen at this temperature. Those with a larger nickel shell thickness behave more like monometallic Ni in terms of their decomposition and oxidation properties. The Au@Ni system with an ultra thin metallic nickel overlayer (2 nm) shows high catalytic activity and selectivity for phenylacetylene hydrogenation under mild conditions which outweighs their monometallic counterparts and those with higher nickel shell thickness.1 aBharathan, Vysakh, A.1 aJain, Ruchi1 aGopinath, Chinnakonda, S.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/diverse-reactivity-trends-ni-surfaces-auni-core-shell-nanoparticles-probed-near-ambient02423nas a2200217   4500008004100000022001400041245015800055210006900213260000800282300001200290490000800302520164400310653002401954653002801978653001302006653002402019100001702043700001802060700001802078856010902096       2017                        eng d  a1387-181100aExploration of amination reactions on highly extendable active sites of Pd(II)-3-allylsalicylaldiminophenol (ASIP) complex over thiofunctionalized SBA-150 aExploration of amination reactions on highly extendable active s  cAPR  a173-1810 v2423 a<p>An effective and impressive heterogeneous catalyst, Pd(II)-3-allylsalicylaldiminophenol-SBA-15, dubbed as Pd(II)ASIP@SBA-15, for amination reactions of aryl halides to synthesize secondary amines (2), has been synthesized and characterized. Pd(II)ASIP@SBA-15 has been synthesized by the covalent anchoring of 3-allylsalicylaldehyde over thiofunctionalized SBA-15, then further reaction with 2-aminophenol, followed by metallation process by using Pd(11)(OAc)(2). A specifically designed cheap and easily available organic ligand, 3-allylsalicylaldiminophenol (ASIP), was synthesized from 3-allylsalicylaldehyde and 2-aminophenol. Using this, the synthesis of Pd(II)ASIP@SBA-15 was carried out whereby the ligand providing an active co-ordination or chelating sites for palladium metal. This strategy helped in exposing the Pd(11)ASIP active sites from surface to channels of SBA-15 support during the reactions. The synthesized catalyst were characterized by CHN analysis, PXRD, Nitrogen sorption analyses, TG &amp; DTA, FTIR, C-13 and Si-29 CPMASS NMR spectra, XPS, UV-Visible, SEM, EDAX and TEM. Pd(II)ASIP@SBA-15 catalyst was screened in heterogeneous amination reactions of aryl halides to produce N-aryl derivatives or secondary amines with high catalytic activity as revealed by turn over frequency (TOF) calculations. To explore the heterogeneous nature of catalysts, amination reactions were carried with neat Pd(II)ASIP complex and Pd(11)(OAc)(2) catalysts. The catalyst was recycled several times without much loss of activity and Sheldon hot filtration test has been performed. (C) 2017 Elsevier Inc. All rights reserved.</p>10aAmination Reactions10aheterogeneous catalysis10aReusable10aSupported catalysis1 aLazar, Anish1 aVinod, C., P.1 aSingh, A., P.  uhttps://library.ncl.res.in/content/exploration-amination-reactions-highly-extendable-active-sites-pdii-301260nas a2200169   4500008004100000022002200041245003700063210003700100250000600137260001400143300001200157520079700169100001800966700001900984700001801003856006901021       2017                        eng d  a978-3-319-68052-100aModel nanoparticles in catalysis0 aModel nanoparticles in catalysis  a1  b Springer  a165-1993 a<p>The importance of surface structure in catalysis is well documented by a large volume of surface science studies carried out on single crystal surfaces. Recent years has seen rapid strides in the synthesis of structured nanomaterials with varying morphologies and architecture. There is a growing interest in utilizing model nanoparticles like morphology-controlled nanostructures and core–shell-like bimetallic nanoparticles in catalysis. Apart from showing unprecedented reactivity, they serve as a model surfaces to answer many fundamental question in catalysis and also to arrive at structure vs activity correlations in heterogeneous catalysis. This chapter gives an introduction to such nanomaterials and recent advances in utilizing these materials for catalytic applications.</p>1 aVinod, C., P.1 aVysakh, A., B.1 aSreedhala, S.  uhttps://library.ncl.res.in/content/model-nanoparticles-catalysis01935nas a2200205   4500008004100000245010300041210006900144260000800213300001000221490000800231520124200239100002501481700001301506700001601519700001501535700001801550700002001568700001601588856012501604       2018                        eng d00a Enhanced selectivity of 3-D ordered macroporous Pt/Al2O3 catalysts in nitrites removal from water0 aEnhanced selectivity of 3D ordered macroporous PtAl2O3 catalysts  cAUG  a26-320 v5643 aTailored macroporous mesoporous alumina supports have been successfully prepared using a single hard templating approach. Pt nanoparticles, showing similar physico-chemical properties, were homogeneously dispersed throughout the different alumina frameworks as catalytic active phase for drinking water treatment. We demonstrated that careful modification of pore properties of the catalyst (size and connectivity) by pseudomorphic transformation can strongly modulate the reaction rate and selectivity through the limited access to Pt active sites within the alumina porous particles. Specifically, 3-D Ordered Macroporous Pt-Al2O3 catalysts with a high degree of interconnectivity yield to superior catalytic properties (enhanced activity and selectivity) over pure mesoporous counterparts in the hydrogenation of nitrites in water. We found that large pores (240 nm) interconnected with windows (110 nm) alleviate mass transfer limitations and clearly improve NZ selectivity. The findings of this study further suggest the possibility of engineering the pore architecture of the support to fine tune the selectivity for a particular reaction rather than investigating more on tuning the properties of the costly active metallic phase.1 aSekhar, A., C. Sunil1 aZaki, A.1 aTroncea, S.1 aCasale, S.1 aVinod, C., P.1 aDacquin, J., P.1 aGranger, P.  uhttps://library.ncl.res.in/content/enhanced-selectivity-3-d-ordered-macroporous-ptal2o3-catalysts-nitrites-removal-water01427nas a2200157   4500008004100000245010500041210006900146260000800215300001000223490000700233520085200240100001801092700001701110700001801127856012401145       2018                        eng d00aHighly selective aqueous phase hydrogenation of phenols over nanostructured RuO2 on MCM-41 catalysts0 aHighly selective aqueous phase hydrogenation of phenols over nan  cFEB  a36-430 v133 aSelective aqueous phase hydrogenation of phenol as well as its derivatives is important for the synthesis of chemical intermediates which are crucial for the manufacture of high-tonnage commodities and a multitude of value added platform chemicals. Herein, we report a facile catalyst made of highly dispersed small RuO2 nanoparticles supported on mesoporous MCM-41 using one-pot approach. The optimal 5RuO2-MCM-41 catalyst with particle size 6-8 nm showed excellent activity and selectivity in aqueous phase hydrogenation of phenol and other functionalized substrates, which are building blocks of lignin, to corresponding cyclohexanol products without any additives. These catalysts showed better stability and can be reused several times without any significant drop in activity which proves the heterogeneity of the immobilized oxide catalyst.1 aBetsy, K., J.1 aLazar, Anish1 aVinod, C., P.  uhttps://library.ncl.res.in/content/highly-selective-aqueous-phase-hydrogenation-phenols-over-nanostructured-ruo2-mcm-4102690nas a2200229   4500008004100000022001400041245011000055210006900165260000900234300001400243490000800257520190300265100002202168700001502190700002302205700001702228700002402245700002402269700001802293700002402311856012502335       2018                        eng d  a0002-786300aIron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process0 aIron Catalyzed Hydroformylation of Alkenes under Mild Conditions  cMAR   a4430-44390 v1403 a<p>Earth abundant, first row transition metals offer a cheap and sustainable alternative to the rare and precious metals. However, utilization of first row metals in catalysis requires harsh reaction conditions, suffers from limited activity, and fails to tolerate functional groups. Reported here is a highly efficient iron catalyzed hydroformylation of alkenes under mild conditions. This protocol operates at 10-30 bar syngas pressure below 100 degrees C, utilizes readily available ligands, and applies to an array of olefins. Thus, the iron precursor [HFe(CO)(4)](-)[Ph3PNPPh3](+) (1) in the presence of triphenyl phosphine catalyzes the hydroformylation of 1-hexene (S2), 1-octene (S1), 1-decene (S3), 1-dodecene (S4), 1-octadecene (S5), trimethoxy(vinyl)silane (S6), trimethyl(vinyl)silane (S7), cardanol (S8), 2,3-dihydrofuran (S9), allyl malonic acid (S10), styrene (S11), 4-methylstyrene (S12), 4-iBu-styrene (S13), 4-tBu-styrene (S14), 4-methoxy styrene (S15), 4-acetoxy styrene (S16), 4-bromo styrene (S17), 4-chloro styrene (S18), 4-vinylbenzonitrile (S19), 4-vinylbenzoic acid (S20), and allyl benzene (S21) to corresponding aldehydes in good to excellent yields. Both electron donating and electron withdrawing substituents could be tolerated and excellent conversions were obtained for S11-S20. Remarkably, the addition of 1 mol % acetic acid promotes the reaction to completion within 16-24 h. Detailed mechanistic investigations revealed in situ formation of an iron-dihydride complex [H2Fe(CO)(2)(PPh3)(2)] (A) as an active catalytic species. This finding was further supported by cyclic voltammetry investigations and intermediacy of an Fe(0)-Fe(II) species was established. Combined experimental and computational investigations support the existence of an iron-dihydride as the catalyst resting state, which then follows a Fe(II) based catalytic cycle to produce aldehyde.</p>1 aPandey, Swechchha1 aRaj, Vipin1 aShinde, Dinesh, R.1 aVanka, Kumar1 aKashyap, Varchaswal1 aKurungot, Sreekumar1 aVinod, C., P.1 aChikkali, Samir, H.  uhttps://library.ncl.res.in/content/iron-catalyzed-hydroformylation-alkenes-under-mild-conditions-evidence-feii-catalyzed02653nas a2200217   4500008004100000022001400041245012000055210006900175260000900244300001400253490000700267520188500274100002302159700001702182700001702199700002702216700001802243700002102261700002402282856012902306       2018                        eng d  a0024-929700aJudicious reduction of supported Ti catalyst enables access to disentangled ultrahigh molecular weight polyethylene0 aJudicious reduction of supported Ti catalyst enables access to d  cJUN   a4541-45520 v513 a<p>Heterogeneous Ziegler-Natta and homogeneous metallocene catalysts are known to produce ultrahigh molecular weight polyethylene (UHMWPE) in the entangled state. On the other hand, only (two) homogeneous single-site catalysts are reported to yield disentangled UHMWPE (dis-UHMWPE). This disparity between the two types of catalysts and the two states of polyethylene can be bridged if a heterogeneous single-site catalyst that can yield dis-UHMWPE is made accessible. Here, one-pot two-step synthesis of a MgCl2 supported [Ti(OEt)(4)] derived catalyst 1 with a two-stage activation strategy is reported to produce dis-UHMWPE. Second activation of catalyst 1 was performed by adding excess modified methylaluminoxane (MMAO12), and XPS analysis indicated that the catalyst existed in only Ti(III) state at [A1]/[Ti] ratio of 600. Catalyst 1 after second activation with MMAO12 was found to be highly active in ethylene polymerization and produced dis-UHMWPE. Polymerization conditions were tailored to obtain molecular weight (M-w) as high as 13 million g/mol PE. To the best of our knowledge, this is the first time a heterogeneous catalyst (catalyst 1) that displays pseudosingle site nature is able to produce dis-UHMWPE. The thus-prepared nascent polyethylene revealed a melting temperature of 141-144 degrees C, which is a characteristic melting transition for a dis-UHMVVPE. The disentangled state of the nascent PE and its M-w and MVVD were further authenticated by rheological investigations. Isothermal time, sweep oscillatory experiments in linear viscoelastic limit revealed a rapid rise in elastic modulus followed by equilibration to plateau modulus, which are characteristic features of the disentangled state. Thus, a pseudo-singlesite heterogeneous catalyst has been accessed, which upon second activation with excess MMAO12 led to the production of dis-UHMWPE.</p>1 aGote, Ravindra, P.1 aMandal, Dipa1 aPatel, Ketan1 aChaudhuri, Krishnaroop1 aVinod, C., P.1 aLele, Ashish, K.1 aChikkali, Samir, H.  uhttps://library.ncl.res.in/content/judicious-reduction-supported-ti-catalyst-enables-access-disentangled-ultrahigh-molecular01184nas a2200181   4500008004100000022001400041245011300055210006900168260000800237300001600245490000700261520053100268100001700799700001400816700002300830700001800853856013100871       2018                        eng d  a1359-734500a One pot ligand exchange method for a highly stable Au-SBA-15 catalyst and its room temperature CO oxidation0 aOne pot ligand exchange method for a highly stable AuSBA15 catal  cNOV  a12412-124150 v543 aA modified deposition precipitation (DP) method has been developed to address a fundamental issue of supporting well dispersed Au nanoparticles on silica. Ammonium chloride (NH4Cl) plays an important role in in situ modifying the gold precursor (HAuCl(4)3H(2)O) solution allowing facile deposition of gold NPs in the channels of SBA-15. The Au-SBA-15 catalyst (2.8 wt%) synthesized by this procedure showed 100% conversion for CO oxidation at room temperature with excellent stability at room temperature and high temperature.1 aSoni, Yogita1 aKavya, I.1 aAjithkumar, T., G.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/one-pot-ligand-exchange-method-highly-stable-au-sba-15-catalyst-and-its-room-temperature-co02115nas a2200205   4500008004100000245013300041210006900174260000800243300002700251490000800278520135600286100001901642700002001661700001801681700002201699700001901721700001801740700001901758856013201777       2018                        eng d00aRole of oxygen vacancies and interstitials on structural phase transition, grain growth, and optical properties of Ga doped TiO20 aRole of oxygen vacancies and interstitials on structural phase t  cJUN  aArticle Number: 2457020 v1233 aA systematic study on the effect of gallium (Ga) doping (0 <= x <= 0.10) on the structural phase transition and grain growth of TiO2 is reported here. X-ray diffraction spectroscopy and Raman spectroscopy confirm that Ga doping inhibits the phase transition. Activation energy increases from 125 kJ/mol (x = 0.00) to 300 kJ/mol (x = 0.10) upon Ga incorporation. X-ray photoelectron spectroscopy shows the presence of Ti3+/Ga3+ interstitials, substitution (Ti4+ by Ga3+), and oxygen vacancies in the samples. At lower doping (x <= 0.05), interstitials play a more significant role over substitution and oxygen vacancies, thereby resulting in a considerable lattice expansion. At higher doping (x >= 0.05), the effect of interstitials is compensated by both the effect of substitution and oxygen vacancies, thereby resulting in relatively lesser lattice expansion. Inhibition of the phase transition is the result of this lattice expansion. The crystallite size (anatase) and particle size (rutile) both are reduced due to Ga incorporation. It also modifies optical properties of pure TiO2 by increasing the bandgap (from 3.06 to 3.09 eV) and decreasing the Urbach energy (from 58.59 to 47.25 meV). This happens due to regularization of the lattice by the combined effect of substitution/ interstitials and oxygen vacancies. Published by AIP Publishing.1 aKhatun, Nasima1 aTiwari, Saurabh1 aVinod, C., P.1 aTseng, Chuan-Ming1 aLiu, Shun, Wei1 aBiring, Sajal1 aSen, Somaditya  uhttps://library.ncl.res.in/content/role-oxygen-vacancies-and-interstitials-structural-phase-transition-grain-growth-and-optical01610nas a2200253   4500008004100000022001400041245015100055210006900206260000800275300001000283490000800293520072400301653002801025653001401053653002001067653002701087653001301114653003001127100001701157700001801174700001801192700001801210856012801228       2018                        eng d  a1566-736700aRu(II)-functionalized SBA-15 as highly chemoselective, acid free and sustainable heterogeneous catalyst for acetalization of aldehydes and ketones0 aRuIIfunctionalized SBA15 as highly chemoselective acid free and   cJAN  a62-660 v1043 a<p>Combining electron deficient Ru(II) coordination sites with organofunctionalized SBA-15, (L)Ru(Il)@SBA-15, result in a mild, neutral, water scavenger free and chemo-selective acetalization catalyst for cyclic/acyclic acetals. Vacant coordination sites of ruthenium in (L)Ru(II)@SBA-15 activates protecting groups as well as reactants simultaneously and restricts the reverse acetalization reaction. Synthesized (L)Ru(Il)@SBA-15 catalyst has been thoroughly characterized and act as competitive catalyst compared to conventional acid catalysts. (L) RuaD@SBA-15 performs high catalytic activity as well as selectivity within 20 min with high TOF. The catalyst can be recycled and reaction parameters are optimized.</p>10aAcetalization reactions10aAcid free10achemo-selective10aheterogeneous catalyst10aReusable10aRu(II) immobilized SBA-151 aLazar, Anish1 aBetsy, K., J.1 aVinod, C., P.1 aSingh, A., P.  uhttps://library.ncl.res.in/content/ruii-functionalized-sba-15-highly-chemoselective-acid-free-and-sustainable-heterogeneous02313nas a2200241   4500008004100000022001400041245012600055210006900181260000800250520143000258653001601688653003201704653002201736653002301758653002501781100002601806700002201832700002201854700002001876700001801896700003001914856012701944       2019                        eng d  a1861-472800aAg nanoparticles supported on a resorcinol-phenylenediamine-based covalent organic framework for chemical fixation of CO20 aAg nanoparticles supported on a resorcinolphenylenediaminebased   cOCT3 a<p>Covalent organic frameworks are a new class of crystalline organic polymers possessing a high surface area and ordered pores. Judicious selection of building blocks leads to strategic heteroatom inclusion into the COF structure. Owing to their high surface area, exceptional stability and molecular tunability, COFs are adopted for various potential applications. The heteroatoms lining in the pores of COF favor synergistic host-guest interaction to enhance a targeted property. In this report, we have synthesized a resorcinol-phenylenediamine-based COF which selectively adsorbs CO2 into its micropores (12 angstrom). The heat of adsorption value (32 kJ mol(-1)) obtained from the virial model at zero-loading of CO2 indicates its favorable interaction with the framework. Furthermore, we have anchored small-sized Ag nanoparticles (approximate to 4-5 nm) on the COF and used the composite for chemical fixation of CO2 to alkylidene cyclic carbonates by reacting with propargyl alcohols under ambient conditions. Ag@COF catalyzes the reaction selectively with an excellent yield of 90 %. Recyclability of the catalyst has been demonstrated up to five consecutive cycles. The post-catalysis characterizations reveal the integrity of the catalyst even after five reaction cycles. This study emphasizes the ability of COF for simultaneous adsorption and chemical fixation of CO2 into corresponding cyclic carbonates.</p>
10aCO2 capture10acovalent organic frameworks10acyclic carbonates10aPropargyl alcohols10asilver nanoparticles1 aChakraborty, Debanjan1 aShekhar, Pragalbh1 aSingh, Himan, Dev1 aKushwaha, Rinku1 aVinod, C., P.1 aVaidhyanathan, Ramanathan  uhttps://library.ncl.res.in/content/ag-nanoparticles-supported-resorcinol-phenylenediamine-based-covalent-organic-framework02516nas a2200289   4500008004100000022001400041245014300055210006900198260000800267300001400275490000600289520149400295653004001789653002001829653002001849653002001869653002801889653001901917100001701936700002601953700002201979700002402001700002102025700001802046700003002064856013202094       2019                        eng d  a2574-097000aAqueous-phase differentiation and speciation of Fe3+ and Fe2+ using water-stable photoluminescent lanthanide-based metal-organic framework0 aAqueousphase differentiation and speciation of Fe3 and Fe2 using  cAUG  a5169-51780 v23 a<p>Fe2+ is vital to O-2 transportation and photosynthesis regulated by oxidases and reductases. On the other hand, Fe3+ is detrimental due to its irreversible binding to O-2. Hence there is a need for selective identification of Fe3+ from aqueous systems in the presence of Fe2+. However, given their close chemical nature, it is not straightforward to differentiate them. Fe2+ and Fe3+ are typically sensed and differentiated using magnetic measurements, Mossbauer, X-ray absorption spectroscopy, or EXAFS, which are complex and equipment intensive techniques. In comparison, the fluorescence technique is advantageous in terms of time and accessibility. Although readily available lanthanide salts exhibit fluorescence, they are weak, and to serve as an optical probe, their luminescence has to be enhanced via ligand design. Hence we have designed a chromophoric ligand that can covalently bind to lanthanides and enhance its fluorescence intensity, and it binds selectively to Fe3+ through its nitrogen centers. It detects Fe3+ from low concentration (similar to 100 mu M) aqueous solutions, with fast response time (&lt;1 min) and with a detection limit of 3.6 ppm. Importantly, the Fe3+ adsorbed MOF can be readily reactivated for the next cycle by merely washing with an aqueous ascorbic acid solution and can be used for multiple cycles without any appreciable loss in activity. This makes the Ln-MOF an environmentally benign, cost-effective, scalable, and recyclable probe.</p>
10aFe3+ differentiation and speciation10aflexible ligand10afluorescent MOF10airon speciation10aMetal-organic framework10awater sorption1 aMaity, Rahul1 aChakraborty, Debanjan1 aNandi, Shyamapada1 aYadav, Ankit, Kumar1 aMullangi, Dinesh1 aVinod, C., P.1 aVaidhyanathan, Ramanathan  uhttps://library.ncl.res.in/content/aqueous-phase-differentiation-and-speciation-fe3-and-fe2-using-water-stable-photoluminescent01409nas a2200301   4500008004100000022001400041245013700055210006900192260000900261300001400270490000600284520050300290653001000793653001100803653001100814653001500825653001400840653000900854653001800863653001400881653001900895653001300914653001000927100001300937700001800950700001800968856012100986       2019                        eng d  a2365-654900aAu based Ni and Co bimetallic core shell nanocatalysts for room temperature selective decomposition of hydrous hydrazine to hydrogen0 aAu based Ni and Co bimetallic core shell nanocatalysts for room   cMAR   a2734-27400 v43 a<p>Nickel and Cobalt bimetallic catalysts with Au as core metal has been synthesized and demonstrated for hydrazine decomposition reaction for producing hydrogen. Gold-cobalt and gold nickel bimetallic system belonging to the class of strained structures with high lattice mismatch of approximately 14% are demonstrated for synergistic effects atypical of monometallic counterparts for the selective decomposition of hydrous hydrazine to H-2 with N-2 as the other product at room temperature.</p>
10a(HDR)10aAu@Co.10aAu@Ni.10aBimetallic10acatalyst.10acore10adecomposition10aHydrazine10ananoparticles.10areaction10ashell1 aJain, P.1 aAnila, K., A.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/au-based-ni-and-co-bimetallic-core-shell-nanocatalysts-room-temperature-selective02473nas a2200265   4500008004100000022001400041245008800055210006900143260000800212300001600220490000600236520163300242653001701875653001801892653003101910653002501941100001801966700001901984700001802003700002002021700002402041700001602065700001802081856010802099       2019                        eng d  a2168-048500aMechanistic insights into the pathways of phenol hydrogenation on Pd nanostructures0 aMechanistic insights into the pathways of phenol hydrogenation o  cOCT  a17126-171360 v73 a<p>Product selectivity in aqueous phase phenol hydrogenation on well-defined supported Pd nanostructures (spheres, cubes, and octahedra) was studied using defined experiments and density functional theory (DFT) simulations. On Pd spheres and octahedra, the reaction initially showed high selectivity (in the first 3 h, at 363 K and 5 bar H-2 pressure) toward the partially hydrogenated product cyclohexanone. On prolonged operation (&gt;20 h of reaction time), a shift in the product selectivity (up to 100%) toward the completely hydrogenated product cyclohexanol was observed on Pd spheres and octahedra. In contrast, the reaction on Pd cubes, which only had {100} facets, showed a high selectivity (similar to 90%) toward the product cyclohexanone even after 40 h, at the same reaction conditions. Since the {111} facets are expected to be the majority sites on a spherical particle, we attribute the selectivity trend observed on spherical Pd particles to be primarily controlled by the selectivity trend on the Pd{111} facets. This observation was further confirmed on performing the hydrogenation reaction on a mixture of Pd cube and Pd octahedron particles in a ratio of 25:75 (representing the site ratio of a spherical particle). DFT simulations provided a mechanistic insight into the reactivity of the two different facets ({100} and {111}) toward phenol hydrogenation. The calculations revealed that the selectivity significantly depended on the activation barriers involved in cyclohexanone hydrogenation on the Pd{111} facets (77 and 57 kJ/mol) as compared to those on the Pd{100} facets (97 and 101 kJ/mol).</p>
10aCyclohexanol10acyclohexanone10afacet-dependent reactivity10aphenol hydrogenation1 aPorwa, Govind1 aGupta, Shelaka1 aSreedhala, S.1 aElizabeth, Joes1 aIthan, Tuhin, Suvra1 aHaider, Ali1 aVinod, C., P.  uhttps://library.ncl.res.in/content/mechanistic-insights-pathways-phenol-hydrogenation-pd-nanostructures01466nas a2200193   4500008004100000022001400041245011700055210006900172260000800241300001400249490000700263520077500270100002201045700002801067700001401095700001801109700002001127856012501147       2019                        eng d  a2041-652000aNickel-catalyzed C-H alkylation of indoles with unactivated alkyl chlorides: evidence of a Ni(i)/Ni(iii) pathway0 aNickelcatalyzed CH alkylation of indoles with unactivated alkyl   cNOV  a9493-95000 v103 a<p>A mild and efficient nickel-catalyzed method for the coupling of unactivated primary and secondary alkyl chlorides with the C-H bond of indoles and pyrroles is described which demonstrates a high level of chemo and regioselectivity. The reaction tolerates numerous functionalities, such as halide, alkenyl, alkynyl, ether, thioether, furanyl, pyrrolyl, indolyl and carbazolyl groups including acyclic and cyclic alkyls under the reaction conditions. Mechanistic investigation highlights that the alkylation proceeds through a single-electron transfer (SET) process with Ni(i)-species being the active catalyst. Overall, the alkylation follows a Ni(i)/Ni(iii) pathway involving the rate-influencing two-step single-electron oxidative addition of alkyl chlorides.</p>
1 aPandey, Dilip, K.1 aAnkade, Shidheshwar, B.1 aAli, Abad1 aVinod, C., P.1 aPunji, Benudhar  uhttps://library.ncl.res.in/content/nickel-catalyzed-c-h-alkylation-indoles-unactivated-alkyl-chlorides-evidence-niiniiii01869nas a2200241   4500008004100000022001400041245013600055210006900191260000800260300001200268490000600280520105500286653001701341653001901358653001201377653001401389653001101403653002901414100002201443700001801465700002001483856012401503       2019                        eng d  a2155-543500aNickel-catalyzed straightforward and regioselective C-H alkenylation of indoles with alkenyl bromides: scope and mechanistic aspect0 aNickelcatalyzed straightforward and regioselective CH alkenylati  cJAN  a431-4410 v93 a<p>Nickel-catalyzed regioselective C-H bond alkenylation of indoles and related heteroarenes with alkenyl bromides is accomplished under relatively mild conditions. This method allows the straightforward synthesis of C-2 alkenylated indoles employing an air-stable and well-defined nickel catalyst, (bpy)NiBr2, providing a solution to the limitations associated with hydroindolation and oxidative alkenylation. The reaction conceded the coupling of indole derivatives with various alkenyl bromides, such as aromatic and heteroaromatics, alpha- and beta-substituted as well as exo- and endo-cyclic alkenyl compounds. An extensive mechanistic investigation, including controlled study, reactivity experiments, kinetics and labeling studies, and EPR and XPS analyses, highlights that the alkenylation proceeds through a single-electron transfer process comprising an odd-electron oxidative addition of alkenyl bromide. Furthermore, the alkenylation operates via a probable Ni(I)/Ni(III) pathway involving the rate-limiting C-H nickelation of indole.</p>10aalkenylation10aC-H activation10aindoles10aMechanism10aNickel10asingle-electron transfer1 aJagtap, Rahul, A.1 aVinod, C., P.1 aPunji, Benudhar  uhttps://library.ncl.res.in/content/nickel-catalyzed-straightforward-and-regioselective-c-h-alkenylation-indoles-alkenyl02040nas a2200265   4500008004100000022001400041245010000055210006900155260000800224300001200232490000700244520119000251653001401441653001001455653002901465653002001494653003501514653001001549100002101559700001701580700001801597700001601615700002201631856012101653       2019                        eng d  a1600-577500aOperando X-ray absorption spectroscopy study of the Fischer-Tropsch reaction with a Co catalyst0 aOperando Xray absorption spectroscopy study of the FischerTropsc  cJAN  a137-1440 v263 a<p>This article describes the setting up of a facility on the energy-scanning EXAFS beamline (BL-09) at RRCAT, Indore, India, for operando studies of structure-activity correlation during a catalytic reaction. The setup was tested by operando X-ray absorption spectroscopy (XAS) studies performed on a Co-based catalyst during the Fischer-Tropsch reaction to obtain information regarding structural changes in the catalyst during the reaction. Simultaneous gas chromatography (GC) measurements during the reaction facilitate monitoring of the product gases, which in turn gives information regarding the activity of the catalyst. The combination of XAS and GC techniques was used to correlate the structural changes with the activity of the catalyst at different reaction temperatures. The oxide catalyst was reduced to the metallic phase by heating at 400 degrees C for 5h under H-2 at ambient pressure and subsequently the catalytic reaction was studied at four different temperatures of 240, 260, 280 and 320 degrees C. The catalyst was studied for 10h at 320 degrees C and an attempt has been made to understand the process of its deactivation from the XANES and EXAFS results.</p>10acatalysis10aEXAFS10aFischer-Tropsch reaction10ain situ studies10astructure-activity correlation10aXANES1 aNayak, Chandrani1 aJain, Preeti1 aVinod, C., P.1 aJha, S., N.1 aBhattacharyya, D.  uhttps://library.ncl.res.in/content/operando-x-ray-absorption-spectroscopy-study-fischer-tropsch-reaction-co-catalyst02339nas a2200349   4500008004100000022001400041245011900055210006900174260000800243300001400251490000700265520127700272653001301549653001701562653003501579653002401614653000801638100001501646700002001661700001501681700001901696700001801715700001501733700001901748700001401767700002001781700001301801700001701814700001501831700001201846856013101858       2019                        eng d  a0272-884200aRole of Li+ and Fe3+ in modified ZnO: Structural, vibrational, opto-electronic, mechanical and magnetic properties0 aRole of Li and Fe3 in modified ZnO Structural vibrational optoel  cJAN  a7232-72430 v453 aWhen Fe is doped in ZnO, a situation of charge imbalance is created due to the higher charge of Fe3+. A charge balance may be obtained by co-doping Li+0.5Fe3+0.5 combinations. A solid solution of Zn1-x(Fe0.5Li0.5)xO (0 ≤ x ≤ 0.03125) is synthesized with this viewpoint. The crystallites belong to a wurtzite P63mc space group, with lattice parameters a, b and c increasing nominally for x = 0.0156 and thereafter remaining invariant. The size varies in the range ~ 60–142 nm. Interstitials of Li and Zn ions are formed. Along with Fe3+ substitution these defects are reasons for O interstitials. These oxygen interstitials increase the red emission while reduction of oxygen vacancies reduces the green emission. These point defects create structural distortion and strain which can generate Zn vacancies. Bandgap reduces due to shallow defects. Mid-bandgap states due to oxygen interstitials and Fe 3d-O 2p hybridization result in NIR emission. On the other hand the crystal surface deforms due to Li addition which hardens the materials. A weak ferromagnetism appears at very low temperature which is enhanced by Li+ addition. Long range exchange mechanism between Fe3+ ions appears in the samples, mediated by magnetic polarons due to point defects.10ahardness10aNIR emission10aShallow and deep level defects10aWeak ferromagnetism10aZnO1 aBajpai, G.1 aMoirangthem, I.1 aSarkar, S.1 aBarman, S., R.1 aVinod, C., P.1 aBajpai, S.1 aRiyajuddin, S.1 aGhosh, K.1 aBasaula, D., R.1 aKhan, M.1 aLiu, S., -W.1 aBiring, S.1 aSen, S.  uhttps://library.ncl.res.in/content/role-li-and-fe3-modified-zno-structural-vibrational-opto-electronic-mechanical-and-magnetic01705nas a2200277   4500008004100000022001400041245012400055210006900179260000900248300001100257490000800268520078900276653002101065653001501086653001101101653002001112653002401132653002701156100001901183700001901202700001601221700001601237700003001253700001801283856012601301       2019                        eng d  a0926-860X00aSurfactant free synthesis of Au@Ni core-shell nanochains in aqueous medium as efficient transfer hydrogenation catalyst0 aSurfactant free synthesis of AuNi coreshell nanochains in aqueou  cAPR   a93-1000 v5753 a<p>A surfactant free aqueous phase synthesis method is reported for the generation of highly lattice mismatched Au@Ni core-shell nanochains without using any expensive and hazardous organic ligands. As synthesised Au@Ni nanochain structures showed high thermal stability and bulk oxidation resistance up to 300 degrees C. In situ near ambient pressure XPS (NAPXPS) analysis has been done for the bare Au@Ni nanochain surfaces under oxygen atmosphere and at different temperatures which showed evidence for the surface oxidation resistance of naked Au@Ni nanochains up to 200 degrees C. Ligand or capping agent free Au@Ni nanochain surfaces are found to be highly active for transfer hydrogenation of acetophenone to 1-phenyl ethanol an important commodity in perfumery industry.</p>
10aAu@Ni nanochains10acore-shell10aNAPXPS10aSurfactant free10asynergistic effects10atransfer hydrogenation1 aVysakh, A., B.1 aShebin, K., J.1 aJain, Ruchi1 aSumanta, P.1 aGopinath, Chinnakonda, S.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/surfactant-free-synthesis-auni-core-shell-nanochains-aqueous-medium-efficient-transfer01888nas a2200241   4500008004100000022001400041245012100055210006900176260000900245300001600254490000600270520107700276653002201353653002601375653001801401653002101419653000801440100001801448700001701466700002201483700001801505856012301523       2020                        eng d  a2168-048500aCO2 hydrogenation to formate by palladium nanoparticles supported on N-incorporated periodic mesoporous organosilica0 aCO2 hydrogenation to formate by palladium nanoparticles supporte  cOCT   a14765-147740 v83 a<p>Development of a heterogeneous catalyst capable of selective transformation of CO2 to valuable products still remains a challenge. In this article, we account for the surfactant-directed synthesis of a new framework-incorporated nitrogen-containing periodic mesoporous organosilica nanosphere (NPMO). A thoroughly characterized N-incorporated hybrid PMO was utilized as a platform for stabilizing well-dispersed and easily accessible Pd nanoparticles (Pd-NPMO) without using any stabilizing agents or expensive dendrimers. Further, this bifunctional hybrid catalyst has been demonstrated to heterogeneously catalyze aqueous phase CO2 hydrogenation (CO2/H-2 ratio 1:3) for the direct synthesis of formate under 4 MPa pressure and at 100 degrees C. To validate the superior performance of the Pd-NPMO catalyst, we compared the activity with Pd-SBA-15 catalysts, and the results showed a 10-fold increase in turnover frequency of 108 h(-1) using Pd on NPMO which envisaged the crucial role of nitrogen sites in this catalyst to boost the CO2 valorization to formate.</p>
10aCO2 hydrogenation10aFormic acid synthesis10aHybrid silica10aPd nanoparticles10aPMO1 aBetsy, K., J.1 aLazar, Anish1 aPavithran, Anjuna1 aVinod, C., P.  uhttps://library.ncl.res.in/content/co2-hydrogenation-formate-palladium-nanoparticles-supported-n-incorporated-periodic02471nas a2200205   4500008004100000022001400041245014900055210006900204260000800273300001400281490000800295520173100303100001802034700001302052700001402065700001802079700002302097700001702120856012802137       2020                        eng d  a1932-744700aDynamics in amine-functionalized mesoporous hybrid materials probed through deuterium magic angle spinning NMR and molecular dynamic simulations0 aDynamics in aminefunctionalized mesoporous hybrid materials prob  cMAR  a6154-61700 v1243 a<p>We present a deuterium magic angle spinning (MAS) NMR study on two widely used hybrid materials (3-glycidyloxy propyl)trimethoxysilane (3-GPTMS) and 3-(trimethoxysilyl)propyl methacrylate (3-MATMS) grafted on SBA-15. Methylene-deuterated diamine as a pendent group is anchored to GPTMS (O3Si-CH2-CH2-CH2-O-CH2-CH(OH)- CH2-NH-CD2-CD2-NH2) and MATMS (O3Si-CH2-CH2-CH2-O-C(N-CD2-CD2-NH2)-C(CH3)=-CH2) postgrafting. Proton and deuterium solid state NMR experiments under MAS were performed at two hydration levels and temperatures ranging from 253 to 315 K. Deuterium spectra were deconvoluted into three A Dr, components with different average quadrupolar parameters: a relatively rigid component arising from local or librational motion of C-H-2(2) corresponding to ``small angle'' jumps, an intermediate dynamic component, and a large amplitude dynamic component. Population ratios of rigid versus dynamic components show that diamine-MATMS is more rigid when compared with diamine-GPTMS at high hydration. The role of the length of the linkers, steric hindrance, grafting concentration, etc. in defining mobility is investigated. Finally, by correlating proton and deuterium MAS NMR spectral analysis, the role of a few water molecules in inducing dynamics of the linkers was investigated. Molecular dynamic (MD) simulations support the experimental analysis. MD simulations indicate different types of mobility arising from the same molecular binding configuration of diamine-MATMS. Dynamics induced by a few hydroxyls on the pore surface accessible to the linker, various molecular conformations, and stabilization of the linker through hydrogen bonding with the surface, derived from MD simulations, are discussed.</p>
1 aVeena, V., S.1 aKavya, I1 aLazar, A.1 aVinod, C., P.1 aAjithkumar, T., G.1 aJayanthi, S.  uhttps://library.ncl.res.in/content/dynamics-amine-functionalized-mesoporous-hybrid-materials-probed-through-deuterium-magic01971nas a2200253   4500008004100000022001400041245017400055210006900229260000800298300001100306490000700317520104800324653002201372653002101394653002001415653002001435653002501455100001801480700002101498700002101519700002701540700001801567856013201585       2020                        eng d  a2352-940700aEngineering pore morphology using silica template route over mesoporous cobalt oxide and its implications in atmospheric pressure carbon dioxide hydrogenation to olefins0 aEngineering pore morphology using silica template route over mes  cJUN  a1005860 v193 a<p>Highly ordered mesoporous cobalt oxides (denoted as m-Co-KIT-6 and m-Co-SBA-15) with three dimensional and two dimensional pore morphology respectively have been synthesized using 3D KIT-6, and 2D SBA-15 as silica template via nanocasting route. CO2 hydrogenation activity was evaluated for these mesoporous materials under atmospheric pressure conditions. In comparison to nanoparticles of cobalt oxide (Co3O4-nano), mesoporous catalysts showed excellent activity for CO2 hydrogenation due to their higher number of exposed active sites and lower mass diffusion limitations. The ordered mesoporous structure of Co3O4 catalysts favored the chain growth of carbon atoms for the production of C2+ hydrocarbons while Co3O4 nanoparticles showed strong selectivity toward CH4. High selectivity for C2+ (similar to 25%) was obtained for both m-Co-KIT-6 and m-Co-SBA-15 catalysts at 320 degrees C. In addition, the 3D pore structure of m-Co-KIT-6 catalyst exclusively formed more olefins (54.9%) fraction. (C) 2020 Published by Elsevier Ltd.</p>
10aCO2 hydrogenation10aMesoporous CO3O410aOlefin fraction10aPore morphology10aSilica hard template1 aGupta, Sharad1 aCiotonea, Carmen1 aRoyer, Sebastien1 aDacquin, Jean-Philippe1 aVinod, C., P.  uhttps://library.ncl.res.in/content/engineering-pore-morphology-using-silica-template-route-over-mesoporous-cobalt-oxide-and-its02123nas a2200265   4500008004100000022001400041245013800055210006900193260000900262300001400271490000700285520121800292653002001510653001501530653001901545653002501564653001401589653000901603100002201612700002901634700001801663700002601681700002001707856013001727       2020                        eng d  a2155-543500aIron-catalyzed C(sp(2))-H alkylation of indolines and benzo[h]quinoline with unactivated alkyl chlorides through chelation assistance0 aIroncatalyzed Csp2H alkylation of indolines and benzohquinoline   cJUL   a7312-73210 v103 a<p>Regioselective C-H bond alkylation of indolines and benzo[h]quinoline with a wide range of unactivated and highly demanded primary and secondary alkyl chlorides is accomplished using a low-cost iron catalyst. This reaction tolerates diverse functionalities, such as C(sp(2))-Cl, fluoro, alkenyl, silyl, ether, thioether, pyrrolyl, and carbazolyl groups including cyclic and acyclic alkyls as well as alkyl-bearing fatty-alcohol and polycyclic-steroid moieties. The demonstrated iron-catalyzed protocol proceeded via either a five-membered or a six-membered metallacycle. Intriguingly, the C-7-alkylated indolines can be readily functionalized into free-NH indolines/indoles and tryptamine derivatives. A detailed mechanistic investigation highlights the participation of an active Fe(I) catalyst and the involvement of a halogen-atom transfer process via a single-electron-based mechanism. Deuterium labeling and kinetics analysis indicate that the C-H metalation of indoline is the probable turnover-limiting step. Overall, the experimental and theoretical studies supported an Fe(I)/Fe(III) pathway for the alkylation reaction comprising the two-step, one-electron oxidative addition of alkyl chloride.</p>
10aalkyl chlorides10aAlkylation10aC-H activation10achelation assistance10aindolines10airon1 aJagtap, Rahul, A.1 aSamal, Pragnya, Paramita1 aVinod, C., P.1 aKrishnamurty, Sailaja1 aPunji, Benudhar  uhttps://library.ncl.res.in/content/iron-catalyzed-csp2-h-alkylation-indolines-and-benzohquinoline-unactivated-alkyl-chlorides02275nas a2200253   4500008004100000022001400041245016000055210006900215260000800284300001600292490000700308520136500315653002001680653002201700653002701722653001901749653002601768100001601794700001901810700002101829700001801850700002201868856013101890       2020                        eng d  a1944-824400aNanocrystalline Ag3PO4 for sunlight- and ambient air-driven oxidation of amines: high photocatalytic efficiency and a facile catalyst regeneration strategy0 aNanocrystalline Ag3PO4 for sunlight and ambient airdriven oxidat  cJUL  a29324-293340 v123 a<p>Selective oxidation of amines to imines using sunlight as clean and renewable energy source is an important but challenging chemical transformation because of high reactivity of the generated imines and lack of visible light-responsive materials with high conversion rates. In addition, oxygen gas has to be purged in the reaction mixture in order to increase the reaction efficiency which, in itself, is an energy-consuming process. Herein, we report, for the first time, the use of Ag3PO4 as an excellent photocatalyst for the oxidative coupling of benzyl amines induced by ambient air in the absence of any external source of molecular oxygen at room temperature. The conversion efficiency for the selective oxidation of benzyl amine was found to be greater than 95% with a selectivity of &gt;99% after 40 min of light irradiation indicating an exceptionally high conversion efficiency with a rate constant of 0.002 min(-1), a turnover frequency of 57 h(-1), and a quantum yield of 19%, considering all of the absorbed photons. Ag3PO4, however, is known for its poor photostability owing to a positive conduction band position and a favorable reduction potential to metallic silver. Therefore, we further employed a simple catalyst regeneration strategy and showed that the catalyst can be recycled with negligible loss of activity and selectivity.</p>
10aamine oxidation10aenergy harvesting10ananocrystalline Ag3PO410aPhotocatalysis10aregeneration strategy1 aGarg, Reeya1 aMondal, Sanjit1 aSahoo, Lipipuspa1 aVinod, C., P.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/nanocrystalline-ag3po4-sunlight-and-ambient-air-driven-oxidation-amines-high-photocatalytic01762nas a2200181   4500008004100000022001400041245014300055210006900198260000900267300001600276490000700292520106900299100002201368700001801390700002401408700001801432856013001450       2020                        eng d  a1463-907600aRole of B site ions in bifunctional oxygen electrocatalysis: a structure-property correlation study on doped Ca(2)Fe(2)O(5)brownmillerites0 aRole of B site ions in bifunctional oxygen electrocatalysis a st  cJUL   a15520-155270 v223 a<p>The role of B site doping with transition metals in brownmillerites, a perovskite related family of compounds, in bifunctional oxygen electrocatalysis,viz., simultaneous reduction and evolution reactions, is analysed. Ca2Fe1.9M0.1O5(M = Mn, Co, Ni, and Cu) is synthesised and structurally characterised by powder XRD and Rietveld refinement. Valence states of the surface B site ions are identified by X-ray photoelectron spectroscopy. Bifunctional oxygen electrochemistry is studied with the RDE and RRDE techniques and correlated with the structural and electronic parameters like oxygen non-stoichiometry and B site catalytic activity. Since the widely accepted electronic descriptors like e(g)filling may not be sufficient for explaining the bifunctional activity, B site electron donating capability as well as the extent of oxygen vacancies enhancing O(2)adsorption is also considered. Such structural parameters are also found to influence both the ORR and OER and based on this, Ni doping is proposed as advantageous for the bifunctional activity.</p>
1 aThundiyil, Shibin1 aVinod, C., P.1 aKurungot, Sreekumar1 aDevi, Nandini  uhttps://library.ncl.res.in/content/role-b-site-ions-bifunctional-oxygen-electrocatalysis-structure-property-correlation-study01257nas a2200145   4500008004100000245008900041210006900130260000800199490000700207520073300214100001700947700001800964700001800982856011101000       2020                        eng d00aRole of exposed crystal facets in the atmospheric pressure CO hydrogenation on Co3O40 aRole of exposed crystal facets in the atmospheric pressure CO hy  cJUL0 v233 a<p><span style="color: rgb(51, 51, 51); font-family: Roboto, Arial, sans-serif; font-size: 14px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">Co3O4 nanostructures with different exposed planes are studied for atmospheric pressure CO hydrogenation. Existence of different facets is characterized by HR-TEM and found Co3O4 - NSP (nanospheres) expose (112) facet, NB (nanobelts) exhibit (110) plane and (100) is the dominant surface facet in NC (nanocubes). Different catalytic activity is demonstrated by the specific facet of Co3O4 catalysts. CO hydrogenation is facet dependent and the catalytic activity follows the order of Co3O4-NB &gt; Co3O4-NC &gt; Co3O4-NSP.</span></p>1 aJain, Preeti1 aGupta, Sharad1 aVinod, C., P.  uhttps://library.ncl.res.in/content/role-exposed-crystal-facets-atmospheric-pressure-co-hydrogenation-co3o401893nas a2200301   4500008004100000022001400041245016000055210006900215260000900284300001100293490000800304520086400312653001701176653002701193653002101220653001101241653003101252100001701283700002101300700002301321700001801344700001601362700002201378700002301400700001901423700001801442856013101460       2020                        eng d  a0926-337300aSpectroscopic evidences for the size dependent generation of pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst0 aSpectroscopic evidences for the size dependent generation of pd   cSEP   a1189340 v2723 a<p>A comprehensive size dependent CO oxidation activity has been demonstrated for Pd-SBA-15 catalysts with Pd NPs of varying sizes such as 1-2, 4-6 and 7-10 nm. Pd-SBA-15 catalyst with smallest sized NPs (Pd-S-N) has been synthesized by modified deposition precipitation method recently developed in our lab. Pd-S-N catalyst (reduced at 400 degrees C) demonstrated CO oxidation activity with lower light off temperature (50 degrees C), clearly one of the best reported for a Pd-silica system. A detailed XPS and in-situ DRIFTS analyses further supported by XAS and DFT calculations reveal the presence of easily decomposable highvalent Pd-oxide on co-ordinatively unsaturated Pd sites (Pdcus). Weak binding of CO on Pdcus sites in small Pd NPs leaving sites for oxygen activation is attributed to the low temperature activity of Pd-S-N for CO oxidation.</p>
10aCO oxidation10ahigh-valent Pd species10aPd nanoparticles10aSBA-1510aunder coordinated Pd atoms1 aSoni, Yogita1 aPradhan, Sumanta1 aBamnia, Mahesh, K.1 aYadav, A., K.1 aJha, S., N.1 aBhattacharyya, D.1 aKhan, Tuhin, Suvra1 aHaider, M., A.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/spectroscopic-evidences-size-dependent-generation-pd-species-responsible-low-temperature-co01630nas a2200265   4500008004100000022001400041245013100055210006900186260000800255300001400263490000600277520070900283653002500992653003201017653003001049653001501079653002001094100001901114700001901133700001801152700001801170700002001188700002501208856013101233       2020                        eng d  a2574-096200aStress-induced electronic structure modulation of manganese-incorporated Ni2P leading to enhanced activity for water splitting0 aStressinduced electronic structure modulation of manganeseincorp  cFEB  a1271-12780 v33 a<p>The cornerstone of the emerging hydrogen economy is hydrogen production by water electrolysis with concomitant oxygen generation. Incorporating a third element in metal phosphides can tune the crystalline and electronic structure, hence improving the electrocatalytic properties. In this work, Mn-doped Ni2P with varying ratios of Mn and Ni has been explored as excellent catalysts for water splitting. A complete cell made of the best catalyst Ni1.5Mn0.5P electrodes showed low voltage of 1.75 V at a current density of 10 mA cm(-2) due to enhanced electrical conductivity, induction of tensile stress, enhanced electrochemical surface area, and increased electric dipole upon Mn incorporation.</p>
10aElectronic Structure10ahydrogen evolution reaction10aOxygen Evolution Reaction10aphosphides10awater splitting1 aSarkar, Shreya1 aDheer, Lakshay1 aVinod, C., P.1 aThapa, Ranjit1 aWaghmare, Umesh1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/stress-induced-electronic-structure-modulation-manganese-incorporated-ni2p-leading-enhanced02320nas a2200229   4500008004100000022001400041245016200055210006900217260000900286300001600295490000600311520149100317100001901808700002101827700002101848700001901869700002101888700001801909700001901927700002201946856012201968       2020                        eng d  a2050-748800aWavelength dependent luminescence decay kinetics in `quantum-confined' g-C(3)N(4)nanosheets exhibiting high photocatalytic efficiency upon plasmonic coupling0 aWavelength dependent luminescence decay kinetics in quantumconfi  cOCT   a20581-205920 v83 a<p>Serendipitous observations offer newer insights into materials properties. Here we describe g-C(3)N(4)nanosheets exhibiting remarkably blue-shifted photoluminescence within the 390-580 nm range centred at 425 nm which matches more closely with its `quantum-dots', and yet is excitation-wavelength independent. Moreover, surprisingly, the luminescence decay becomes increasingly slow at higher emission wavelengths, by up to 10 times. The nanosheets absorb only a fraction of visible-light. To improve this, when we designed a nanocomposite of g-C(3)N(4)and Au nanoparticles (NPs), it retained the PL characteristics and also exhibited excellent light-harvesting and photocatalytic efficiency for benzylamine (BA) oxidation. The surface plasmon resonance of the Au NPs is responsible for the high visible-light response and assisting the reaction by the `hot-electron' injection mechanism, while an uncharacteristic, pronounced co-catalytic effect by them further improves the efficiency. The conversion is 98% with &gt;99% selectivity over 1.5 h of natural sunlight and open-air, probably the highest efficiency for BA photo-oxidation reactions. Even though such a dual role by plasmonic NPs has remained unscrutinized, we argue that the charge-transfer processes for the `hot-carrier' injection and co-catalytic events are well-separated in time due to a much slower photon incident frequency on a catalyst particle, enabling both to occur simultaneously in the same particle.</p>
1 aMondal, Sanjit1 aSahoo, Lipipuspa1 aVaishnav, Yuvraj1 aMishra, Samita1 aRoy, Raj, Sekhar1 aVinod, C., P.1 aDe, Arijit, K.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/wavelength-dependent-luminescence-decay-kinetics-quantum-confined-g-c3n4nanosheets05420nas a2200217   4500008004100000022001400041245011600055210006900171260000800240300001000248490000800258520464600266653001604912653002204928653002904950653003604979100001905015700001805034700002205052856012805074       2021                        eng d  a0008-622300aAutophagy and unique aerial oxygen harvesting properties exhibited by highly photocatalytic carbon quantum dots0 aAutophagy and unique aerial oxygen harvesting properties exhibit  cAUG  a16-270 v1813 a<p><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">Plastic pollution is a serious threat to the environment as they are not bio-degradable. Herein using waste-polyethylene, we report two inter-related important findings. First that they can be converted economically and completely into highly photocatalytic carbon quantum-dots (CQDs) using H</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">O</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;as a residue-free oxidant in an acid medium, and they have the ability to enrich a reaction medium with an extraordinary amount of molecular oxygen harvested from the air so that no separate oxygen source is needed while carrying out facile photocatalytic&nbsp;<a class="topic-link" href="https://www.sciencedirect.com/topics/engineering/oxidation-reaction" style="background-color: transparent; text-decoration-line: underline; text-decoration-thickness: 1px; text-decoration-color: rgb(46, 46, 46); color: rgb(46, 46, 46); word-break: break-word; text-underline-offset: 1px;" title="Learn more about oxidation reactions from ScienceDirect's AI-generated Topic Pages">oxidation reactions</a>. Second, when they are not performing any photocatalytic reaction, they exhibit self-sensitized photo-oxidation to convert themselves completely to CO</span><span style="font-size: 13.5px; line-height: 0; position: relative; bottom: -0.25em; color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">2</span><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;in the presence of sunlight, a phenomenon that we term as ‘CQD-autophagy’ by drawing parallels to the death of useless-cells in the body. Such extinction from the reaction media is unique as no other material is known to do so and advantageous because the removal of carbon-dots from a solution is rather inefficient from an industry-viewpoint due to their high solubility. Instead, the inexpensive CQDs can be discarded casually with the notion that they will gradually get eliminated from the environment.</span></p>10aCarbon dots10aOxygen-enrichment10aPhotocatalytic oxidation10aSelf-sensitized photo-oxidation1 aMondal, Sanjit1 aVinod, C., P.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/autophagy-and-unique-aerial-oxygen-harvesting-properties-exhibited-highly-photocatalytic00688nas a2200169   4500008004100000022001400041245016000055210006900215260000900284300000900293490000700302100001900309700002000328700001800348700002500366856012700391       2021                        eng d  a1359-734500aConductive interface promoted bifunctional oxygen reduction/evolution activity in an ultra-low precious metal based hybrid catalyst (vol 57, pg 1951, 2021)0 aConductive interface promoted bifunctional oxygen reductionevolu  cMAR   a28240 v571 aSarkar, Shreya1 aVarghese, Merin1 aVinod, C., P.1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/conductive-interface-promoted-bifunctional-oxygen-reductionevolution-activity-ultra-low00963nas a2200181   4500008004100000022001400041245013600055210006900191260000800260300001400268490000700282520028100289100001900570700002000589700001800609700002500627856012900652       2021                        eng d  a1359-734500aConductive interface promoted bifunctional oxygen reduction/evolution activity in an ultra-low precious metal based hybrid catalyst0 aConductive interface promoted bifunctional oxygen reductionevolu  cFEB  a1951-19540 v573 a<p>Ultra low PtPd alloy deposited on Ni12P5 nanostructures (PtPd/Ni12P5) exhibited enhanced ORR activity (onset: 1.003 V and E-1/2:0.95 V) on par with commercial Pt/C and superior OER activity with 81% reduction of the precious metal compared to the commercial catalyst.</p>
1 aSarkar, Shreya1 aVarghese, Merin1 aVinod, C., P.1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/conductive-interface-promoted-bifunctional-oxygen-reductionevolution-activity-ultra-low-001316nas a2200289   4500008004100000022001400041245008000055210006900135260000800204300001100212490000800223520045700231653001900688653000800707653001800715653002500733653001900758653002000777100001800797700002000815700001800835700002000853700001900873700001600892700001900908856009900927       2021                        eng d  a0926-337300aCuO as a reactive and reusable reagent for the hydrogenation of nitroarenes0 aCuO as a reactive and reusable reagent for the hydrogenation of   cNOV  a1204170 v2973 a{Copper oxide (CuO) is used as a reusable solid reagent for hydrogenation of nitroarenes to aminoarenes. The use of CuO resulted in 100 % conversion of 2.9 mmol of nitrobenzene to aniline in 45 s at room temperature using hydrazine hydrate as the reducing agent. During the reaction, CuO is converted to inactive metallic Cu which can be regenerated to active CuO by thermal oxidation. DFT simulations indicated facile formation of oxygen vacancies (EO10aCopper vacancy10aCuO10aHydrogenation10aNitroarene reduction10aOxygen defects10aReactive solids1 aRajendran, K.1 aPandurangan, N.1 aVinod, C., P.1 aKhan, Tuhin, S.1 aGupta, Shelaka1 aHaider, Ali1 aJagadeesan, D.  uhttps://library.ncl.res.in/content/cuo-reactive-and-reusable-reagent-hydrogenation-nitroarenes02494nas a2200241   4500008004100000022001400041245012400055210006900179260000900248300001100257490000800268520163700276653002601913653002701939653002701966653001901993653002802012100001902040700002102059700001802080700002202098856013202120       2021                        eng d  a0926-337300aFacile transfer of excited electrons in Au/SnS2 nanosheets for efficient solar-driven selective organic transformations0 aFacile transfer of excited electrons in AuSnS2 nanosheets for ef  cJUN   a1199270 v2863 a<p>Solar driven aerial oxidation processes have gained importance in organic transformations leading to the development of many nanocrystalline photocatalysts. Although such nanomaterials have many potential advantages, they often underperform due to poor visible light absorption and rapid recombination of excitons. Incorporation of plasmonic nanoparticles (NPs) on the catalyst surfaces can extend their response to visible light and improve photocatalytic efficiency by the `hot-electron' injection mechanism. Nanostructures of SnS2 too absorb a part of the visible light to induce many photocatalytic reactions, though their ability to perform the selective and controlled organic transformations has not yet been observed. Herein, we demonstrate the first example of such transformation with the oxidative coupling of various benzylamine (BA) derivatives to imines under ambient conditions using SnS2 nanosheets (NSs). The reaction rate improves manifold and shows similar to 98 % conversion (&gt;99 % selectivity) in 2 h under direct sunlight and open-air when the NSs were decorated with 1.5 wt% Au NPs on (Au/SnS2), making it one of the best catalysts for this reaction. We found that the large enhancement in activity upon Au loading is accompanied by a noticeable change in photo-induced charge accumulation behaviour in Au/SnS2 from the usual ``spike and overshoot'' one and contributed by facile transfer of excited electrons across the Au-SnS2 heterojunction in which Au NPs act as both sources and sinks for the photo-excited electrons. Finally, a detailed mechanism of the oxidation reaction has been proposed.</p>
10aBenzylamine oxidation10aHot-electron injection10aPlasmonic nanoparticle10aSnS2 nanosheet10aSolar energy harvesting1 aMondal, Sanjit1 aSahoo, Lipipuspa1 aVinod, C., P.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/facile-transfer-excited-electrons-ausns2-nanosheets-efficient-solar-driven-selective-organic01588nas a2200229   4500008004100000022001400041245016600055210006900221260000800290300001100298490000800309520073100317653002201048653003001070653003801100653002101138653002001159100001701179700001801196700001801214856012601232       2021                        eng d  a2468-823100aRole of metal-support interaction for atmospheric pressure CO2 hydrogenation over Pd/(Ti)-SBA-15 catalyst: effect of titanium composition on products selectivity0 aRole of metalsupport interaction for atmospheric pressure CO2 hy  cJUL  a1117320 v5113 aThe potential role of metal-support interaction for tuning the product selectivity during atmospheric pressure CO2 hydrogenation has been demonstrated on Pd/(Ti)-SBA-15 catalyst. Highly dispersed Pd NPs on SBA-15 (Pd/ SBA-15) was synthesized and further modified with titanium of varying composition. Comparison of catalytic activity of Pd/Ti-SBA-15 with its counterparts (Pd/SBA-15 and Pd/TiO2) illustrated the significance of strong PdTi interface in this catalyst and its role in tuning the product selectivity of CO2 hydrogenation. The generation of an ample amount of oxygen vacancies in the Pd/Ti-SBA-15 catalyst with maximum metallic Pd sites in close vicinity of Ti is proposed to boost the CO2 hydrogenation activity.10aCO2 hydrogenation10aMetal-support interaction10aModified deposition precipitation10aoxygen vacancies10aTitanosilicates1 aSoni, Yogita1 aGupta, Sharad1 aVinod, C., P.  uhttps://library.ncl.res.in/content/role-metal-support-interaction-atmospheric-pressure-co2-hydrogenation-over-pdti-sba-1501818nas a2200277   4500008004100000022001400041245012800055210006900183260000900252300001400261490000700275520088200282653002001164653002101184653003201205653001801237653002601255100001901281700002001300700001601320700002101336700002301357700001801380700002501398856011701423       2021                        eng d  a1864-563100aStructure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production0 aStructuretailored nonnoble metalbased ternary chalcogenide nanoc  cAUG   a3074-30830 v143 aA facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.10acharge transfer10aelectrocatalysis10ahydrogen evolution reaction10aNanomaterials10aternary chalcogenides1 aSarkar, Shreya1 aRawat, Abhishek1 aDas, Tisita1 aGaboardi, Mattia1 aChakraborty, Sudip1 aVinod, C., P.1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/structure-tailored-non-noble-metal-based-ternary-chalcogenide-nanocrystals-pt03932nas a2200157   4500008004100000245014500041210006900186260000800255300001100263490000700274520331900281100001303600700001603613700001803629856012703647       2021                        eng d00aUnprecedented stability in Au@Co core-shell bimetallic catalyst supported on SBA-15 (Au@Co/SBA-15) for atmospheric pressure CO hydrogenation0 aUnprecedented stability in AuCo coreshell bimetallic catalyst su  cSEP  a1000680 v133 a<p><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">Bimetallic nanoparticles demonstrating&nbsp;<a class="topic-link" href="https://www.sciencedirect.com/topics/engineering/synergistic-effect" style="background-color: transparent; text-decoration-line: underline; text-decoration-thickness: 1px; text-decoration-color: rgb(46, 46, 46); color: rgb(46, 46, 46); word-break: break-word; text-underline-offset: 1px;" title="Learn more about synergistic effect from ScienceDirect's AI-generated Topic Pages">synergistic effect</a>&nbsp;(electronic or geometric modification) often show distinct chemical and physical properties compared with the parent metals. In catalysis, this provides opportunities to engineer solid materials with appreciable activity, selectivity, and stability. In the present study, we have synthesized Au@Co core–shell bimetallic nanoparticles by colloidal synthesis approach with a focus to study and explore the synergistic effect between Au and Co in Au@Co&nbsp;<a class="topic-link" href="https://www.sciencedirect.com/topics/engineering/bimetallic-catalyst" style="background-color: transparent; text-decoration-line: underline; text-decoration-thickness: 1px; text-decoration-color: rgb(46, 46, 46); color: rgb(46, 46, 46); word-break: break-word; text-underline-offset: 1px;" title="Learn more about bimetallic catalyst from ScienceDirect's AI-generated Topic Pages">bimetallic catalyst</a>&nbsp;supported on SBA-15 on&nbsp;</span><a class="topic-link" href="https://www.sciencedirect.com/topics/engineering/fischer-tropsch" style="background-color: transparent; text-decoration-line: underline; text-decoration-thickness: 1px; text-decoration-color: rgb(46, 46, 46); color: rgb(46, 46, 46); word-break: break-word; text-underline-offset: 1px; font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;" title="Learn more about Fischer Tropsch from ScienceDirect's AI-generated Topic Pages">Fischer Tropsch</a><span style="color: rgb(46, 46, 46); font-family: NexusSerif, Georgia, &quot;Times New Roman&quot;, Times, STIXGeneral, &quot;Cambria Math&quot;, &quot;Lucida Sans Unicode&quot;, &quot;Microsoft Sans Serif&quot;, &quot;Segoe UI Symbol&quot;, &quot;Arial Unicode MS&quot;, serif; font-size: 18px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-weight: 400;">&nbsp;(FT) reaction. The deactivation of catalyst is a significant drawback in CO hydrogenation (syngas conversion/FT synthesis), and the present study provides the design of a new material, which resists the surface cobalt oxide formation&nbsp;and inactive coke formation and gives efficient CO conversion with high stability.</span></p>1 aJain, P.1 aChimote, M.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/unprecedented-stability-auco-core-shell-bimetallic-catalyst-supported-sba-15-aucosba-1501879nas a2200289   4500008004100000022001400041245012100055210006900176260000800245300001200253490000700265520093700272653002001209653002101229653001401250653001901264653002101283653002101304100001901325700002001344700001601364700001501380700001801395700002301413700002501436856012801461       2021                        eng d  a2155-543500aUnveiling the roles of lattice strain and descriptor species on pt-like oxygen reduction activity in Pd-Bi catalysts0 aUnveiling the roles of lattice strain and descriptor species on   cJAN  a800-8080 v113 a<p>A facile non-template-assisted mechanical ball milling technique was employed to generate a PdBi alloy catalyst. The induced lattice strain upon the milling time caused a shift of the d-band center, thereby enhancing the oxygen reduction reaction (ORR) catalytic activity. Additionally, the Pd-O reduction potential and adsorbed OH coverage used as descriptors stipulated the cause of the enhanced ORR activity upon the increased milling interval. Redox properties of surface Pd are directly correlated with a positive shift in the Pd-O reduction potential and OH surface coverage. Hence, by deconvoluting the lattice strain and the role of the descriptor species we achieved a catalyst system with a specific activity 5.4X higher than that of commercial Pt/C, as well as an improved durability. The experimental observation is well-corroborated by a theoretical simulation done by inducing strain to the system externally.</p>
10acharge-transfer10aelectrocatalysis10afuel cell10aLattice strain10aoxygen reduction10aPt-like activity1 aSarkar, Shreya1 aRamarao, S., D.1 aDas, Tisita1 aDas, Risov1 aVinod, C., P.1 aChakraborty, Sudip1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/unveiling-roles-lattice-strain-and-descriptor-species-pt-oxygen-reduction-activity-pd-bi02515nas a2200301   4500008004100000022001400041245012200055210006900177260000800246300001200254490000700266520151500273653002101788653002401809653001901833653002301852100001801875700001901893700002201912700001601934700001501950700002701965700003301992700001802025700002302043700002502066856012202091       2022                        eng d  a0935-964800aMorphology-tuned Pt3Ge accelerates water dissociation to industrial-standard hydrogen production over a wide pH range0 aMorphologytuned Pt3Ge accelerates water dissociation to industri  cJUL  a22022940 v343 a<p>
	The discovery of novel materials for industrial-standard hydrogen production is the present need considering the global energy infrastructure. A novel electrocatalyst, Pt3Ge, which is engineered with a desired crystallographic facet (202), accelerates hydrogen production by water electrolysis, and records industrially desired operational stability compared to the commercial catalyst platinum is introduced. Pt3Ge-(202) exhibits low overpotential of 21.7 mV (24.6 mV for Pt/C) and 92 mV for 10 and 200 mA cm(-2) current density, respectively in 0.5 m H2SO4. It also exhibits remarkable stability of 15 000 accelerated degradation tests cycles (5000 for Pt/C) and exceptional durability of 500 h (@10 mA cm(-2)) in acidic media. Pt3Ge-(202) also displays low overpotential of 96 mV for 10 mA cm(-2) current density in the alkaline medium, rationalizing its hydrogen production ability over a wide pH range required commercial operations. Long-term durability (&gt;75 h in alkaline media) with the industrial level current density (&gt;500 mA cm(-2)) has been demonstrated by utilizing the electrochemical flow reactor. The driving force behind this stupendous performance of Pt3Ge-(202) has been envisaged by mapping the reaction mechanism, active sites, and charge-transfer kinetics via controlled electrochemical experiments, ex situ X-ray photoelectron spectroscopy, in situ infrared spectroscopy, and in situ X-ray absorption spectroscopy further corroborated by first principles calculations.</p>
10aElectrochemistry10ahydrogen production10aintermetallics10awater electrolysis1 aMondal, Soumi1 aSarkar, Shreya1 aBagchi, Debabrata1 aDas, Tisita1 aDas, Risov1 aSingh, Ashutosh, Kumar1 aPrasanna, Ponnappa, Kechanda1 aVinod, C., P.1 aChakraborty, Sudip1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/morphology-tuned-pt3ge-accelerates-water-dissociation-industrial-standard-hydrogen02345nas a2200193   4500008004100000022001400041245013000055210006900185260000800254300001400262490000700276520164000283100001901923700002401942700001901966700001801985700002202003856012602025       2022                        eng d  a1463-926200a`Self-activating' Bi3TaO7-Bi4TaO8Br photocatalyst and its use in the sustainable production of pro-fluorophoric rhodamine-1100 aSelfactivating Bi3TaO7Bi4TaO8Br photocatalyst and its use in the  cJUL  a5514-55230 v243 a<p>
	We counter two common notions that (i) photocatalysts are likely to degrade during use with barely any strategy to counter it and (ii) rhodamine-B (RhB) photo-degradation lacks any useful or commercial prospects even after 53 years of its discovery by developing a photocatalyst that continues to improve its activity for similar to 300 h due to a leaching induced `self-activation' process. Rhodamine-110 (Rh110) is a widely used pro-fluorophore in biological studies. However, its commercial production is highly challenging due to the formation of various side-products originating from the presence of the two labile amino side-groups that induce the pro-fluorophore activity, leading to purification difficulties, low yield, and unusually high costs. Herein, we demonstrate a facile strategy to produce pure Rh110 using extremely inexpensive RhB and Bi3TaO7-Bi4TaO8Br heterostructures as a catalyst in sunlight. The catalyst is not just stable over 30 catalytic cycles but also gets activated continuously in successive cycles to produce a reaction yield as high as 88%. The role of the heterostructure, the origin of surface activation, and the RhB -&gt; Rh110 transformation mechanism have been established. Based on 150 days of sunlight experiments, large-scale production prospects (similar to 4000 times scale-up) and isolation of Rh110 have also been realized, paving a novel way for its production by anyone, inexpensive biological essaying, and device fabrication. Continuously improving catalysts are unknown and compensatory leaching of metal atoms from the catalyst surface may pave the way to realize them.</p>
1 aBanoo, Maqsuma1 aChatterjee, Kaustav1 aMondal, Sanjit1 aVinod, C., P.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/self-activating-bi3tao7-bi4tao8br-photocatalyst-and-its-use-sustainable-production-pro02635nas a2200253   4500008004100000022001400041245017600055210006900231260000800300300001400308490000800322520171200330653002702042653002602069653002202095653002002117653002802137100001602165700002102181700002102202700001802223700002202241856011802263       2022                        eng d  a0008-622300aSingle-step insertion of M-Nx moieties in commercial carbon for sustainable bifunctional electrocatalysis: mapping insertion capacity, mass loss, and carbon reconstruction0 aSinglestep insertion of MNx moieties in commercial carbon for su  cAUG  a1001-10110 v1963 a<p>
	Atomically dispersed earth-abundant metals in N-doped carbon (M-N-Cs) have emerged as a new class of electroactive materials that can match not only the performance of the precious metals but can catalyze both the cathodic and the anodic reactions due to their bifunctional behaviour. This inspires the development of simpler strategies for scale-up production since the existing ones rely on precursors whose commercial viability is not yet ascertained. Herein, we demonstrate the insertion prospects of M-Nx (M = Fe, Co, Ni) moieties, the electrocatalytic centers in the M-N-Cs, into commercial carbon to establish that a single-step heating of the inexpensive precursors is sufficient to generate bifunctional electrocatalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with efficiencies that bypass the majority of the known catalysts. Further importantly, we quantify both the ORR and OER trends and the metal insertion limits for each metal while maintaining an atomic dispersion, without the formation of surface migration-induced clustering, because such clustering is inevitable in the existing processes to necessitate an extra acid-leaching step to remove them. We further quantify and explain for each metal a negative mass balance originating from anomalous mass loss of both metal and carbon content, and a massive reconstruction of the carbon backbone catalyzed by the very metal, an event documented for the first time though it ought to be associated with other M-N-C syntheses too. The study establishes an incredibly simple and inexpensive strategy for the realization of M-N-Cs and outlines the parameters to be considered during mass-production.</p>
10aBifunctional catalysis10aCarbon reconstruction10aCommercial carbon10aMetal insertion10aOxygen electrocatalysis1 aGarg, Reeya1 aSahoo, Lipipuspa1 aKaur, Komalpreet1 aVinod, C., P.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/single-step-insertion-m-nx-moieties-commercial-carbon-sustainable-bifunctional02305nas a2200277   4500008004100000022001400041245009400055210006900149260000800218300001600226490000700242520137500249653001401624653003601638653002501674653004401699653001101743100001901754700002901773700002201802700002701824700001601851700001801867700002501885856011701910       2022                        eng d  a2155-543500aStrain-enhanced phase transformation of iron oxide for higher alcohol production from CO20 aStrainenhanced phase transformation of iron oxide for higher alc  cSEP  a11118-111280 v123 a<p>
	Conversion of CO2 to higher alcohols (HAs) and higher hydrocarbons (HCs) has a greater advantage compared to C1 products because of their high energy density and wide range of applications in daily life. Despite the immense potential of these chemicals, not much of scientific research has been focused on the conversion of CO2 to HAs. In the present work, we have introduced the concept of strain in designing the material to enhance the CO(2 )to HA performance. We introduced strain in a traditional iron-based catalyst, Fe2O3, by the introduction of indium (In), which facilitates the selective conversion of CO2 to HA. An optimum strain favored a 36.7% CO2 conversion with a 42% HA selectivity, and a record yield of 15.42%. The strain has been tuned further with the introduction of K as a promoter. The introduced strain upon In substitution and K promotion favored the conversion of CO2, which is mapped by powder X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy. Further, the change in the mechanism upon In incorporation and K promotion has been probed by in situ diffuse reflectance infrared fourier transform spectroscopy, and it is found that the OCHx intermediate, which produces HAs, is more prominent upon In substitution, which favored the enhancement of HA production compared to that of pristine Fe2O3.</p>
10aCO2 to HA10aFischer-Tropsch synthesis (FTS)10aPhase transformation10areverse water gas shift (RWGS) reaction10astrain1 aGoud, Devender1 aChuripard, Sathyapal, R.1 aBagchi, Debabrata1 aSingh, Ashutosh, Kumar1 aRiyaz, Mohd1 aVinod, C., P.1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/strain-enhanced-phase-transformation-iron-oxide-higher-alcohol-production-co202244nas a2200277   4500008004100000022001400041245013000055210006900185260000800254300001200262490000700274520132700281653001801608653000701626653002101633653001301654100002201667700001501689700002701704700002201731700002101753700002101774700001801795700002501813856012801838       2022                        eng d  a0935-964800aStructure-tailored surface oxide on Cu-Ga intermetallics enhances CO2 reduction selectivity to methanol at ultralow potential0 aStructuretailored surface oxide on CuGa intermetallics enhances   cMAY  a21094260 v343 a<p>
	Electrochemical CO2 reduction reaction (eCO(2)RR) is performed on two intermetallic compounds formed by copper and gallium metals (CuGa2 and Cu9Ga4). Among them, CuGa2 selectively converts CO2 to methanol with remarkable Faradaic efficiency of 77.26% at an extremely low potential of -0.3 V vs RHE. The high performance of CuGa2 compared to Cu9Ga4 is driven by its unique 2D structure, which retains surface and subsurface oxide species (Ga2O3) even in the reduction atmosphere. The Ga2O3 species is mapped by X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) techniques and electrochemical measurements. The eCO(2)RR selectivity to methanol are decreased at higher potential due to the lattice expansion caused by the reduction of the Ga2O3, which is probed by in situ XAFS, quasi in situ powder X-ray diffraction, and ex situ XPS measurements. The mechanism of the formation of methanol is visualized by in situ infrared (IR) spectroscopy and the source of the carbon of methanol at the molecular level is confirmed from the isotope-labeling experiments in presence of (CO2)-C-13. Finally, to minimize the mass transport limitations and improve the overall eCO(2)RR performance, a poly(tetrafluoroethylene)-based gas diffusion electrode is used in the flow cell configuration.</p>
10a(2) reduction10aCO10aElectrochemistry10aMethanol1 aBagchi, Debabrata1 aRaj, Jithu1 aSingh, Ashutosh, Kumar1 aCherevotan, Arjun1 aRoy, Soumyabrata1 aManoj, Kaja, Sai1 aVinod, C., P.1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/structure-tailored-surface-oxide-cu-ga-intermetallics-enhances-co2-reduction-selectivity01866nas a2200253   4500008004100000022001400041245011600055210006900171260000800240300001100248490000800259520101600267653003201283653001801315653001401333653001801347653003701365653001501402100001501417700001901432700001801451700001801469856012501487       2022                        eng d  a0040-609000aTuning of work function of ZnO by doping and co-doping: an investigation using X-ray photoelectron spectroscopy0 aTuning of work function of ZnO by doping and codoping an investi  cNOV  a1395380 v7613 a<p>
	The shift in the work function of the ZnO thin film upon varying codoping ratio has been investigated by X-ray photoelectron spectroscopy. A notable shift of 0.2 eV in the work function was achieved in the films when the Al: In doping ratio was changed from 0:10 to 10:0. The elemental composition of the dopants obtained from XPS analysis showed the presence of more amount of In dopant than Al in codoped ZnO films. In this way a clear understanding of the variation in electrical properties on dopant ratio is obtained. A decrease in work function was also observed with the increase in free carrier concentration when the codopant ratio is changed. The effects of Burstein moss, band narrowing, and band renormalization observed in the bandgap were explained by an upward and downward shift of valence band maxima of the corresponding thin films. The controllable work function of the codoped ZnO films by varying the doping ratio offers excellent potential advantages in optoelectronic devices.</p>
10aIndium -Aluminum co -doping10aSpray coating10athin film10aWork function10aX-ray photoelectron spectroscopy10aZinc oxide1 aSoumya, K.1 aSelvam, Packia1 aVinod, C., P.1 aPotty, S., N.  uhttps://library.ncl.res.in/content/tuning-work-function-zno-doping-and-co-doping-investigation-using-x-ray-photoelectron01780nas a2200181   4500008004100000245013900041210006900180260000800249300001200257490000700269520110100276100002101377700001601398700002101414700001801435700002201453856012301475       2022                        eng d00aUltrathin twisty PdNi alloy nanowires as highly active ORR electrocatalysts exhibiting morphology-induced durability over 200 K cycles0 aUltrathin twisty PdNi alloy nanowires as highly active ORR elect  cJAN  a246-2540 v223 aEven though the anion exchange membrane fuel cells have many advantages, the stability of their electrocatalysts for oxygen reduction reaction (ORR) has remained remarkably poor. We report here on the ultrathin twisty PdNi-alloy nanowires (NWs) exhibiting a very low reaction overpotential with an E1/2 ∼ 0.95 V versus RHE in alkaline media maintained over 200 K cycles, the highest ever recorded for an electrocatalyst. The mass activity of the used NWs is >10 times higher than fresh commercial Pt/C. Therein, Ni improves the Pd d-band center for a more efficient ORR, and its leaching continuously regenerates the surface active sites. The twisty nanowire morphology imparts multiple anchor points on the electrode surface to arrest their detachment or coalescence and extra stability from self-entanglement. The significance of the NW morphology was further confirmed from the high-temperature durability studies. The study demonstrates that tailoring the number of contact points to the electrode-surface may help realize commercial-grade stability in the highly active electrocatalysts.1 aSahoo, Lipipuspa1 aGarg, Reeya1 aKaur, Komalpreet1 aVinod, C., P.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/ultrathin-twisty-pdni-alloy-nanowires-highly-active-orr-electrocatalysts-exhibiting03178nas a2200217   4500008004100000022001400041245013800055210006900193260000900262300001600271490000700287520239300294100002402687700002402711700001902735700002302754700001602777700001802793700002402811856012502835       2022                        eng d  a2040-336400aUnravelling faradaic electrochemical efficiencies over Fe/Co spinel metal oxides using surface spectroscopy and microscopy techniques0 aUnravelling faradaic electrochemical efficiencies over FeCo spin  cNOV   a15928-159410 v143 a<p>
	Cobalt and iron metal-based oxide catalysts play a significant role in energy devices. To unravel some interesting parameters, we have synthesized metal oxides of cobalt and iron (i.e. Fe2O3, Co3O4, Co2FeO4 and CoFe2O4), and measured the effect of the valence band structure, morphology, size and defects in the nanoparticles towards the electrocatalytic hydrogen evolution reaction (HER), the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR). The compositional variations in the cobalt and iron precursors significantly alter the particle size from 60 to &lt;10 nm and simultaneously the shape of the particles (cubic and spherical). The Tauc plot obtained from the solution phase ultraviolet (UV) spectra of the nanoparticles showed band gaps of 2.2, 2.3, 2.5 and 2.8 eV for Fe2O3, Co3O4, Co2FeO4 and CoFe2O4, respectively. Further, the valence band structure and work function analysis using ultraviolet photoelectron spectroscopy (UPS) and core level X-ray photoelectron spectroscopy (XPS) analyses provided better structural insight into metal oxide catalysts. In the Co3O4 system, the valence band structure favors the HER and Fe2O3 favors the OER. The composites Co2FeO4 and CoFe2O4 show a significant change in their core level (O 1s, Co 2p and Fe 2p spectra) and valence band structure. Co3O4 shows an overpotential of 370 mV against 416 mV for Fe2O3 at a current density of 2 mA cm(-2) for the HER. Similarly, Fe2O3 shows an overpotential of 410 mV against the 435 mV for Co3O4 at a current density of 10 mA cm(-2) for the OER. However, for the ORR, Co3O4 shows 70 mV improvement in the half-wave potential against Fe2O3. The composites (Co2FeO4 and CoFe2O4) display better performance compared to their respective parent oxide systems (i.e., Co3O4 and Fe2O3, respectively) in terms of the ORR half-wave potential, which can be attributed to the presence of the oxygen vacancies over the surface in these systems. This was further corroborated in density functional theory (DFT) simulations, wherein the oxygen vacancy formation on the surface of CoFe2O4(001) was calculated to be significantly lower (similar to 50 kJ mol(-1)) compared to Co3O4 (001). The band diagram of the nanoparticles constructed from the various spectroscopic measurements with work function and band gap provides in-depth understanding of the electrocatalytic process.</p>
1 aKashyap, Varchaswal1 aPandikassala, Ajmal1 aSingla, Gourav1 aKhan, Tuhin, Suvra1 aHaider, Ali1 aVinod, C., P.1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/unravelling-faradaic-electrochemical-efficiencies-over-feco-spinel-metal-oxides-using02689nas a2200337   4500008004100000022001400041245014200055210006900197260000800266490000700274520145100281653004201732653003801774653002701812653003601839653003601875653002801911653002301939100002001962700003001982700002702012700003002039700002702069700002402096700002102120700001802141700001802159700002602177700002402203856012402227       2023                        eng d  a1613-681000aActive site engineering and theoretical aspects of ``Superhydrophilic'' nanostructure array enabling efficient overall water electrolysis0 aActive site engineering and theoretical aspects of Superhydrophi  cDEC0 v193 a<p>The rational design of noble metal-free electrocatalysts holds great promise for cost-effective green hydrogen generation through water electrolysis. In this context, here, the development of a superhydrophilic bifunctional electrocatalyst that facilitates both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline conditions is demonstrated. This is achieved through the in situ growth of hierarchical NiMoO4@CoMoO4 center dot xH(2)O nanostructure on nickel foam (NF) via a two-step hydrothermal synthesis method. NiMoO4@CoMoO4 center dot xH(2)O/NF facilitates OER and HER at the overpotentials of 180 and 220 mV, respectively, at the current density of 10 mA cm(-2). The NiMoO4@CoMoO4 center dot xH(2)O/NF parallel to NiMoO4@CoMoO4 center dot xH(2)O/NF cell can be operated at a potential of 1.60 V compared to 1.63 V displayed by the system based on the Pt/C@NF parallel to RuO2@NF standard electrode pair configuration at 10 mA cm(-2) for overall water splitting. The density functional theory calculations for the OER process elucidate that the lowest Delta G of NiMoO4@CoMoO4 compared to both Ni and NiMoO4 is due to the presence of Co in the OER catalytic site and its synergistic interaction with NiMoO4. The preparative strategy and mechanistic understanding make the windows open for the large-scale production of the robust and less expensive electrode material for the overall water electrolysis.</p>
10adensity functional theory (DFT) study10ahydrogen evolution reaction (HER)10aHydrothermal synthesis10aoxygen evolution reaction (OER)10asuperhydrophilic nanostructures10asynergistic interaction10awater electrolysis1 aBarik, Sidharth1 aKharabe, Geeta, Pandurang1 aIllathvalappil, Rajith1 aSingh, Chandrodai, Pratap1 aKanheerampockil, Fayis1 aWalko, Priyanka, S.1 aBhat, Suresh, K.1 aDevi, Nandini1 aVinod, C., P.1 aKrishnamurty, Sailaja1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/active-site-engineering-and-theoretical-aspects-superhydrophilic-nanostructure-array02041nas a2200289   4500008004100000022001400041245012200055210006900177260000800246300001100254490000800265520108000273653001801353653002601371653003801397653002001435100002101455700001901476700001901495700001901514700002101533700001601554700001801570700001901588700002201607856012201629       2023                        eng d  a0926-337300aCovalently interconnected layers in g-C3N4: toward high mechanical stability, catalytic efficiency and sustainability0 aCovalently interconnected layers in gC3N4 toward high mechanical  cMAR  a1220690 v3223 a<p>
	The grim prospects for the industrial utilization of g-C3N4 nanosheets arise from multi-step processing resulting in low material yields and poor visible light response due to quantum confinement. Herein, we introduce a strategy for linking the adjacent layers of g-C3N4 covalently to realize a high surface area without excess mass loss in a one-step process by introducing diethylene glycol as a precursor that produces-(CH2)2-O-(CH2)2-linkers in-situ. Their presence increases interlayer spacing and introduces surface curvatures, discouraging the stacking of a larger number of layers to produce nanosheets with-3 times higher surface area. Interestingly, unlike other layered materials, the linkers also provide extraordinary mechanical stability against exfoliating forces. In addition, the process instills sub-bandgap states and a considerable visible light response at 500 nm to slow down the picosecond exciton recombination dynamics, resulting in-5 times enhancement in H2 generation efficiency from photocatalytic water-splitting over the bulk sample.</p>
10aLayer-linkers10aSustainable synthesis10aTransient absorption spectroscopy10awater-splitting1 aRoy, Raj, Sekhar1 aMondal, Sanjit1 aMishra, Samita1 aBanoo, Maqsuma1 aSahoo, Lipipuspa1 aKumar, Amit1 aVinod, C., P.1 aDe, Arijit, K.1 aGautam, Ujjal, K.  uhttps://library.ncl.res.in/content/covalently-interconnected-layers-g-c3n4-toward-high-mechanical-stability-catalytic01872nas a2200253   4500008004100000022001400041245010100055210006900156260000900225300001000234490000800244520103000252653002601282653001401308653001801322653002401340653001101364653001501375100002301390700001801413700002501431700003201456856013001488       2023                        eng d  a0920-586100aHydrogenation of levulinic acid to gamma-valerolactone over nickel supported organoclay catalyst0 aHydrogenation of levulinic acid to gammavalerolactone over nicke  cJAN   a36-490 v4083 a<p>
	In this work, a series of Ni/Organoclay catalysts with different Nickel loadings were prepared by the wetimpregnation method for the catalytic hydrogenation of levulinic acid (LA) to gamma-valerolactone (GVL). Reaction parameters such as reaction temperature, pressure, solvent effect, and wt% of catalyst were optimized to get excellent conversion of levulinic acid selectively to gamma-valerolactone. Ni/Organoclay with 30% Nickel loading exhibited 100% conversion of LA with 100% selectivity towards GVL at 140 degrees C and 3.0 MPa H2 pressure using 1,4-dioxane as a solvent in 5 h. Different bulk and surface characterization techniques such as XRD, BET, FE-SEM, HR-TEM, XPS, XRF, NH3-TPD, and H2-Chemisorption were used to characterize the Ni/Organoclay catalyst. BET and NH3-TPD analysis showed that the pre-treatment of bentonite with surfactant (CTAB) improved the pore volume, surface area, and acidity of Organoclay which assisted in improving the conversion and selectivity of LA and GVL respectively.</p>
10a?-Valerolactone (GVL)10aBentonite10aHydrogenation10aLevulinic acid (LA)10aNickel10aorganoclay1 aKamble, Paresh, A.1 aVinod, C., P.1 aRathod, Virendra, K.1 aKantam, Mannepalli, Lakshmi  uhttps://library.ncl.res.in/content/hydrogenation-levulinic-acid-gamma-valerolactone-over-nickel-supported-organoclay-catalyst01568nas a2200241   4500008004100000022001400041245007000055210006900125260000800194300001500202490000600217520081000223653002801033653001901061653001101080653001401091653002201105100002301127700001801150700002501168700003201193856010101225       2023                        eng d  a2365-654900aImine oxidation catalyzed by zinc hydroxyapatite: kinetic studies0 aImine oxidation catalyzed by zinc hydroxyapatite kinetic studies  cMAY  ae2022035030 v83 a<p>
	The synthesis of N,N-diphenylformamide from N-benzylideneaniline and urea hydrogen peroxide is investigated using a zinc hydroxyapatite (ZnHAP) catalyst. It was found that the catalyst resulted in the highest activity of 91 % conversion and 40 % selectivity at 130 degrees C in 2 h. A kinetic model was validated by Langmuir-Hinshelwood-Hougen-Watson (LHHW) at different temperatures and the absence of mass transfer resistance was proved by the Weisz Prater criterion. Effect of different catalysts, catalyst loading, temperature, mole-ratio, and speed of stirring was studied. The as-synthesized catalyst is characterized by FTIR, BET nitrogen adsorption-desorption, TEM, EDX, TPD-NH3, XPS, ICP-MS and XRD. ZnHAP catalyst was found to be stable up to three recycles with no loss in activity.</p>
10aheterogeneous catalysis10ahydroxyapatite10aimines10aOxidation10aReaction kinetics1 aVishwakarma, Rakhi1 aVinod, C., P.1 aRathod, Virendra, K.1 aKantam, Mannepalli, Lakshmi  uhttps://library.ncl.res.in/content/imine-oxidation-catalyzed-zinc-hydroxyapatite-kinetic-studies01804nas a2200205   4500008004100000022001400041245009700055210006900152260000800221300001400229490000700243520108500250100002701335700002501362700002201387700002101409700001801430700002501448856012501473       2023                        eng d  a0897-475600aMetal deficiency tailored by the 18-electron rule stabilizes metal-based inorganic compounds0 aMetal deficiency tailored by the 18electron rule stabilizes meta  cJUL  a6050-60580 v353 a<p>
	The 18-electron (18-e(-)) rule is typicallyrestrictedto predicting the stability of transition-metal-based complexes. Herein,we report the use of the 18-e(-) to predict the stabilityin a family of intermetallics MNiSn (M = V, Cr, Fe, and Co) crystallizingin the Co1.75Ge structure type. Site deficiencies at theM site obtained from single-crystal X-ray diffraction are understoodas attaining a stable noble gas electronic configuration. The densityfunctional theory -based structure calculation confirms that the deficientstructure is more stable than the ideal occupation available at thecrystal lattice. MnNiSn, which crystallizes in the half-Heusler crystalstructure, depicts the role of covalent radii of the constituent elementsin determining the crystal structure. Using X-ray absorption spectroscopyand X-ray photoelectron spectroscopy, the local structure of the above-mentionedcompounds was also elucidated, supporting the role of deficiency tunedvalence fluctuation to attain a 18-e(-) configurationthat eventually leads to the formation of stable compounds.</p>
1 aSingh, Ashutosh, Kumar1 aMumbaraddi, Dundappa1 aMishra, Vidyanshu1 aRoy, Soumyabrata1 aVinod, C., P.1 aPeter, Sebastian, C.  uhttps://library.ncl.res.in/content/metal-deficiency-tailored-18-electron-rule-stabilizes-metal-based-inorganic-compounds01889nas a2200181   4500008004100000022001400041245011200055210006900167260000800236300001600244490000800260520123600268100001801504700001701522700002301539700001801562856012701580       2023                        eng d  a1932-744700aMorphology-dependent catalysis by Co3O4 nanostructures in atmospheric pressure carbon dioxide hydrogenation0 aMorphologydependent catalysis by Co3O4 nanostructures in atmosph  cJUL  a13055-130640 v1273 a<p>
	In this work, three Co3O4 nanostructureswith different morphologies (cubes, rods, and sheets) were synthesizedusing a hydrothermal method and tested for the CO2 hydrogenationreaction. The physicochemical properties of the structured Co3O4 were well characterized by X-ray diffraction(XRD), Raman spectroscopy, field-emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM), high-resolution transmissionelectron microscopy (HRTEM), hydrogen temperature-programmed reduction(H-2-TPR), and X-ray photoelectron spectroscopy (XPS) techniques.Based on the characterization, cube, rod, and sheet Co3O4 nanostructures were found to expose the (100), (110),and (112) planes, respectively. The effect of cobalt oxide morphologieswith different exposed surfaces on the activity and selectivity towardCO(2) hydrogenation reaction in a plug-flow reactor operatedbetween 200 and 400 &amp; DEG;C under atmospheric pressure conditionswas explored. The results establish a correlation of the catalyticactivity with morphological structures in the order rods &gt; sheets&gt; cubes. H-2-TPR and XPS studies demonstrated that thehighreducibility of Co3O4 rod makes it an excellentcatalyst for CO2 hydrogenation.</p>
1 aGupta, Sharad1 aJain, Preeti1 aJagadeesan, Dinesh1 aVinod, C., P.  uhttps://library.ncl.res.in/content/morphology-dependent-catalysis-co3o4-nanostructures-atmospheric-pressure-carbon-dioxide02242nas a2200217   4500008004100000022001400041245011600055210006900171260000800240300001400248490000700262520148500269100001801754700002001772700002201792700001901814700002201833700001801855700002301873856012801896       2023                        eng d  a2044-475300aOxidation of ethylene by Cu/TiO2: reducibility of Cu2+ in TiO2 as a possible descriptor of catalytic efficiency0 aOxidation of ethylene by CuTiO2 reducibility of Cu2 in TiO2 as a  cAPR  a2330-23390 v133 a<p>
	Catalytic oxidation using non-noble metal-based catalysts is a promising approach to mitigate pollution due to VOCs in the air. In this work, mesoporous Cu/TiO2 catalysts containing different concentrations of Cu2+ (0.2, 1, 3, and 4 wt% Cu w.r.t. Ti) were synthesized using the sol-gel technique. The catalysts were characterized using inductively coupled plasma-optical emission spectrometry, XRD, Raman spectroscopy, N-2 physisorption, cyclic voltammetry, H-2-TPR and electron microscopy to understand the structure and composition. The thermal catalytic gas phase oxidation of ethylene was studied by heating a mixture of ethylene (1.5 vol%) and air (5.9 vol%) in the presence of the Cu/TiO2 samples in the temperature range of 298 to 773 K. Cu/TiO2 showed a higher catalytic activity compared to TiO2 for the thermal oxidation of ethylene, indicating a strong promotion by doped copper ions. A volcanic behaviour in the catalytic activity was observed with different concentrations of Cu doping, with 1% Cu/TiO2 showing a 99.5% ethylene conversion at 673 K and 100% selectivity to CO2. The activity of 1% Cu/TiO2 remained consistent without deactivation for 24 h. At low dopant concentrations of Cu (0.2 and 1% Cu/TiO2), the reduction of Cu2+ to Cu+ was observed. An interplay of oxygen vacancies (O-V), Cu+, Cu2+ and Ti4+ may be involved in controlling the activity. DRIFT studies indicated the formation of surface bidendate carbonate as a possible intermediate.</p>
1 aRajendran, K.1 aSharma, Mandeep1 aJaison, Augustine1 aAnkitha, Menon1 aTiwari, Ankit, D.1 aVinod, C., P.1 aJagadeesan, Dinesh  uhttps://library.ncl.res.in/content/oxidation-ethylene-cutio2-reducibility-cu2-tio2-possible-descriptor-catalytic-efficiency01974nas a2200241   4500008004100000245014200041210006900183260000800252300001600260490000600276520110900282653001801391653001801409653002801427653003701455653002501492100001801517700001901535700001701554700001701571700001801588856012601606       2023                        eng d00aPd nanoparticles supported on N-incorporated hybrid organosilica as an active and selective low-temperature phenol hydrogenation catalyst0 aPd nanoparticles supported on Nincorporated hybrid organosilica   cJUN  a11500-115120 v63 a<p>
	A heterogeneous Pd-NPMO hybrid-silicacatalyst is synthesized andits application for aqueous phase selective hydrogenation of phenolto cyclohexanone at near ambient temperature (40 degrees C) and underatmospheric hydrogen pressure is demonstrated. The homogeneously distributedPd nanoparticles on N-bridged hybrid mesoporous organosilica showedremarkable activity and selectivity for cyclohexanone compared tothe unmodified Pd-SBA-15 catalyst. Control experiments strongly claimthe role of nitrogen domains in the organic framework of hybrid silicasupport in stabilizing small Pd nanoparticles and possibly modifyingthe Pd sites responsible for catalysis to activate the substrate moleculesin water. The hybrid silica catalyst was stable and reused severaltimes without any significant drop-in activity, proving the heterogeneityof the bifunctional Pd catalyst. Based on the density functional theorystudy and experimental interventions, a possible reaction mechanismfor the low-temperature phenol hydrogenation explaining the role oforganic domains in the hybrid-silica framework is proposed.</p>
10acyclohexanone10aHybrid silica10apalladium nanoparticles10aPeriodic mesoporous organosilica10aphenol hydrogenation1 aBetsy, K., J.1 aBajpai, Priyam1 aLazar, Anish1 aVanka, Kumar1 aVinod, C., P.  uhttps://library.ncl.res.in/content/pd-nanoparticles-supported-n-incorporated-hybrid-organosilica-active-and-selective-low00915nas a2200253   4500008004100000022001400041245012200055210006900177260000900246300001400255490000700269653001700276653003100293653002900324100002500353700001700378700001800395700002300413700002300436700002200459700003200481700001800513856013000531       2024                        eng d  a2168-048500aAtmospheric-pressure continuous-flow methane oxidation to methanol and acetic acid using H2O2 over the Au-Fe catalyst0 aAtmosphericpressure continuousflow methane oxidation to methanol  cMAY   a8958-89670 v1210aCO oxidation10aHIGHLY SELECTIVE OXIDATION10ametal-organic frameworks1 aJagtap, Anuradha, V.1 aKumar, Pawan1 aGupta, Sharad1 aNagendra, Abharana1 aJha, Shambhu, Nath1 aBhattacharyya, D.1 aAjithkumar, Thalasseril, G.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/atmospheric-pressure-continuous-flow-methane-oxidation-methanol-and-acetic-acid-using-h2o202936nas a2200301   4500008004100000022001400041245013700055210006900192260000800261490000700269520184900276653003702125653001802162653004202180653003002222653003002252653001702282100002002299700003002319700002902349700002502378700001802403700002002421700001802441700002602459700002402485856012502509       2024                        eng d  a1613-681000aBreaking the Pt electron symmetry and OH spillover towards ptir active center for performance modulation in direct ammonia fuel cell0 aBreaking the Pt electron symmetry and OH spillover towards ptir   cDEC0 v203 a<p>
	The growing interest in low-temperature direct ammonia fuel cells (DAFCs) arises from the utilization of a carbon-neutral ammonia source; however, DAFCs encounter significant electrode overpotentials due to the substantial energy barrier of the *NH2 to *NH dehydrogenation, compounded by the facile deactivation by *N on the Pt surface. In this work, a unique catalyst, Pt4Ir@AlOOH/NGr i.e., Pt4Ir/ANGr, is introduced composed of PtIr alloy nanoparticles controllably decorated on the pseudo-boehmite phase of AlOOH-supported nitrogen-doped reduced graphene (AlOOH/NGr) composite, synthesized via the polyol reduction method. The detailed studies on the structural and electronic properties of the catalyst by XAS and VB-XPS reveal the possible electronic modulations. The optimized Pt4Ir/ANGr composition exhibits a significantly improved onset potential and mass activity for AOR. The DFT study confirms the OHad species spillover by AlOOH and Pt4Ir (100) facilitates the conversion of the *NH2 to *NH with minimal energy barriers. Finally, testing of DAFC at the system level using a membrane electrode assembly (MEA) with Pt4Ir/ANGr as the anode catalyst, demonstrating the suitability of the catalyst for its practical applications. This study thus uncovers the potential of the Pt4Ir catalyst in synergy with ANGr, largely addressing the challenges in hydrogen transportation, storage, and safety within DAFCs. In this article, a versatile catalyst, Pt4Ir/ANGr, is introduced composed of PtIr alloy nanoparticles decorated on AlOOH/NGr composite. The AlOOH provides an -OH-rich surface conducive to the facile adsorption and decoration of the PtIr alloy nanoparticles and OHad species spillover from AlOOH to the Pt4Ir active center during AOR, further validating the higher experimental activity obtained in Pt4Ir/ANGr. image</p>
10aammonia oxidation reaction (AOR)10ad-band center10adensity functional theory (DFT) study10adirect ammonia fuel cells10ahydroxyl spillover effect10aXAS analysis1 aBarik, Sidharth1 aKharabe, Geeta, Pandurang1 aSamal, Pragnya, Paramita1 aUrkude, Rajashri, R.1 aKumar, Sachin1 aYoyakki, Athira1 aVinod, C., P.1 aKrishnamurty, Sailaja1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/breaking-pt-electron-symmetry-and-oh-spillover-towards-ptir-active-center-performance01380nas a2200169   4500008004100000022001400041245011100055210006900166260000800235300001600243490000800259520076200267100001801029700002101047700001801068856012401086       2024                        eng d  a1932-744700aExploring the CeO2 support morphology for the carbon dioxide hydrogenation reaction using nickel catalysts0 aExploring the CeO2 support morphology for the carbon dioxide hyd  cOCT  a18782-187920 v1283 a<p>
	The catalytic activity and stability are examined for the hydrogenation of carbon dioxide under atmospheric pressure over 2 wt % Ni/CeO2 nanorods (2Ni-CeNRs), nanocubes (2Ni-CeNCs), and nanopolyhedra (2Ni-CeNPs). The 2Ni-CeNR catalysts display excellent catalytic activity and higher stability compared with 2Ni-CeNC and 2Ni-CeNP catalysts. A comprehensive understanding of the surface atomic and electronic structure versus activity has been derived using high-resolution electron microscopy and spectroscopy techniques. High metal dispersion, strong metal-support interaction (SMSI) effect and abundant oxygen vacancies are deduced to play a crucial role in determining the catalytic activity and selectivity of the CO2 hydrogenation reaction.</p>
1 aGupta, Sharad1 aJagtap, Anuradha1 aVinod, C., P.  uhttps://library.ncl.res.in/content/exploring-ceo2-support-morphology-carbon-dioxide-hydrogenation-reaction-using-nickel01981nas a2200193   4500008004100000022001400041245011900055210006900174260000800243300001400251490000600265520128500271100002201556700002601578700001801604700001601622700002301638856012601661       2024                        eng d  a2516-023000aFacile synthesis of nanostructured Ni/NiO/N-doped graphene electrocatalysts for enhanced oxygen evolution reaction0 aFacile synthesis of nanostructured NiNiONdoped graphene electroc  cMAY  a2813-28220 v63 a<p>
	Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique. NiO nanoparticles were used as the substrate to grow N-doped graphene by decomposing vapours of benzene and N-containing ligands. The method was demonstrated with two nitrogen-containing ligands, namely dipyrazino[2,3-f:2 `,3 `-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile (L) and melamine (M). The structure and composition of the as-synthesized composites were characterized by XRD, Raman spectroscopy, SEM, TEM and XPS. The composite prepared using the ligand L had NiO sandwiched between Ni and N-doped graphene and showed an overpotential of 292 mV at 10 mA cm-2 and a Tafel slope of 45.41 mV dec-1 for the OER, which is comparable to the existing noble metal catalysts. The composite prepared using the ligand M had Ni encapsulated by N-doped graphene without NiO. It showed an overpotential of 390 mV at 10 mA cm-2 and a Tafel slope of 78.9 mV dec-1. The ligand-assisted CVD route demonstrates a facile route to control the microstructure of the electrocatalysts. Electrocatalysts containing a Ni/NiO/N-doped graphene interface have been synthesised using the ligand-assisted chemical vapor deposition technique.</p>
1 aMadampadi, Roshni1 aPatel, Avit, Bhogilal1 aVinod, C., P.1 aGupta, Ritu1 aJagadeesan, Dinesh  uhttps://library.ncl.res.in/content/facile-synthesis-nanostructured-ninion-doped-graphene-electrocatalysts-enhanced-oxygen01791nas a2200241   4500008004100000022001400041245010500055210006900160260000900229300001100238490000800249520097500257653001301232653001801245653001101263653001501274653003101289100002301320700001801343700002501361700003201386856013101418       2024                        eng d  a0926-860X00aHydrogenation of furfural to tetrahydrofurfuryl alcohol over nickel-supported on organoclay catalyst0 aHydrogenation of furfural to tetrahydrofurfuryl alcohol over nic  cMAR   a1196210 v6743 a<p>
	Nickel supported on organoclay prepared by the impregnation method provides excellent catalytic activity for the hydrogenation of furfural to tetrahydrofurfuryl alcohol. The relative amount of metal and acidic sites influences the hydrogenation reaction. Additionally, by varying the temperature and the H-2 pressure, we can regulate the interaction of furfural with the active sites. And this may decide the fate of the reaction whether it will undergo a two-step hydrogenation to form tetrahydrofurfuryl alcohol or a rearrangement reaction to form cyclopentanone/cyclopentanol. Water was found to be the best solvent for the selective formation of tetrahydrofurfuryl alcohol. Even though alcohols inhibited rearrangement reaction, the hydrogenation of furfural was more selective towards furfuryl alcohol. Ni/O-clay30A under the optimum conditions of 120 degrees C, 4.0 MPa, and in 1 h offered complete conversion of furfural to tetrahydrofurfuryl alcohol.</p>
10afurfural10aHydrogenation10aNickel10aorganoclay10aTetrahydrofurfuryl alcohol1 aKamble, Paresh, A.1 aVinod, C., P.1 aRathod, Virendra, K.1 aKantam, Mannepalli, Lakshmi  uhttps://library.ncl.res.in/content/hydrogenation-furfural-tetrahydrofurfuryl-alcohol-over-nickel-supported-organoclay-catalyst02631nas a2200205   4500008004100000022001400041245009200055210006900147260000800216490000700224520194000231100001702171700001902188700001702207700001802224700002102242700001702263700002402280856012102304       2024                        eng d  a2044-475300aIron-catalyzed (E)-selective hydrosilylation of alkynes: scope and mechanistic insights0 aIroncatalyzed Eselective hydrosilylation of alkynes scope and me  cMAY0 v143 a<p>
	Iron-catalyzed hydrosilylation of internal alkynes has been rarely reported. Even in these rare cases, additives have been used for the success of the reaction, which often creates a problem for the functional group tolerance of the reaction. Herein, we report an additive-free iron-catalyzed (E)-selective hydrosilylation of internal alkynes in the presence of a phosphine ligand. A low-valent Fe(0) complex [Fe(CO)(3)(BDA)] {[Fe-1]} catalyzed the hydrosilylation of alkynes at 60 to 120 degrees C, exhibited a broad substrate (24 substrates) scope and tolerated different functional groups. The synthetic utility of the reaction was demonstrated by a gram scale experiment, preparing alkenes, and by chemo-selective hydrosilylation. The modus operandi of the reaction has been investigated by i) homogeneity test, ii) radical trapping experiments, iii) X-ray photoelectron spectroscopy, and iv) by preparing a Fe(II) complex as catalyst control. These mechanistic investigations revealed a two-electron pathway for the hydrosilylation of alkynes. In addition, kinetic investigations were undertaken to shed light on the rates of the reaction. Kinetic studies suggest the absence of an induction period, and the reaction is first order with respect to the concentration of iron catalyst [Fe-1] and zeroth order with respect to the substrate (alkyne). The Hammett plot suggests that strongly electron-withdrawing groups on the alkyne favour the hydrosilylation reaction. Meanwhile Eyring analysis suggests that the rate-determining step likely involves an associative pathway. Based on the findings of the mechanistic and kinetic investigation, a plausible Chalk-Harrod-type mechanism is likely to be operative. The proposed mechanism is substantiated by computational investigations, which suggested that the Chalk-Harrod mechanism is kinetically more favored by 15.8 kcal mol(-1) over the modified Chalk-Harrod mechanism.</p>
1 aSen, Anirban1 aTewari, Tanuja1 aKumar, Rohit1 aVinod, C., P.1 aSharma, Himanshu1 aVanka, Kumar1 aChikkali, Samir, H.  uhttps://library.ncl.res.in/content/iron-catalyzed-e-selective-hydrosilylation-alkynes-scope-and-mechanistic-insights02034nas a2200181   4500008004100000022001400041245011800055210006900173260000800242300001200250490000700262520139000269100001501659700001901674700001801693700001801711856012301729       2025                        eng d  a0022-246100aEnhanced light-matter interaction in gas nitridation-derived TiNx thin films for potential plasmonic applications0 aEnhanced lightmatter interaction in gas nitridationderived TiNx   cJAN  a178-1940 v603 a<p>
	Titanium nitride is a substitute material exhibiting improved opto-electrical characteristics suitable for plasmonic purposes with adjustable attributes. In this study, we have embraced an innovative methodology for the fabrication of titanium nitride thin coatings via the nitridation of RF magnetron-sputtered titanium metallic films for surface plasmon resonance utilisation. The augmented electrical and optical features of TiN thin coatings prepared through the nitridation procedure are reported for the first time. The metallic coatings underwent gas nitridation at diverse temperatures within the range of 450-600 degrees C. The titanium nitride phase evolution in the coatings was corroborated by x-ray diffraction and x-ray photoelectron spectroscopy examinations. The dielectric function is deduced from reflection spectra through Drude-Lorentz model fitting, and the manifestation of surface plasmon excitation in the visible region was confirmed by correlating with carrier concentration assessments and by ensuring the required negative permittivity in the region. The red shift of screened plasma wavelength was observed with the nitridation temperature, and the same is varied in the wavelength range 400-700 nm. Ultimately, surface plasmons were excited in coatings with optimised thickness using Kretschmann configuration in wavelength interrogation mode.</p>
1 aTony, Liya1 aSelvam, Packia1 aVinod, C., P.1 aPotty, S., N.  uhttps://library.ncl.res.in/content/enhanced-light-matter-interaction-gas-nitridation-derived-tinx-thin-films-potential02307nas a2200337   4500008004100000022001400041245015300055210006900208260000900277300001100286490000800297520117300305653002001478653002401498653002201522653000901544653002301553653001201576653002501588653004301613100002401656700001801680700001901698700002001717700002501737700001701762700001801779700002501797700001801822856012901840       2025                        eng d  a1385-894700aExploring the electronic modulation in controlling the activity and selectivity of Ni-Au-In based catalyst in atmospheric pressure CO2 hydrogenation0 aExploring the electronic modulation in controlling the activity   cSEP   a1659210 v5203 a<p>
	Nickel-based catalysts are widely used for the hydrogenation of CO2 but encounter stability challenges during prolonged reactions and at elevated temperatures. At atmospheric pressure, nickel primarily promotes methane formation in CO2 hydrogenation reactions. In this work, we demonstrate that the stability and activity of nickel can be significantly enhanced through gold (Au) modification. Furthermore, we achieve a near-complete selectivity switch from methane to CO by incorporating indium (In), mediated through the formation of Au-In alloy. This catalyst exhibits excellent CO2 conversion and CO selectivity at relatively lower temperatures (400 degrees C), addressing a major bottleneck in the Reverse Water-Gas Shifts (RWGS) reaction. XPS studies demonstrate an interesting electron transfer mechanism facilitated by gold, which involves the formation of electronrich Au species (Au delta-) and the development of Au-In alloys. This process improves the reducibility of nickel oxide while allowing a fraction of nickel to remain in its metallic form, managing a facile hydrogenation process and regulating the shift in selectivity from CH4 to CO.</p>
10aAlloy formation10aBimetallic catalyst10aCO2 hydrogenation10aRWGS10aSelectivity switch10asynergy10aTrimetallic catalyst10aXPS (X-ray photoelectron spectroscopy)1 aBajpai, Jyotsna, P.1 aGupta, Sharad1 aGoud, Devender1 aDeka, Diku, Raj1 aJagtap, Anuradha, V.1 aKumar, Pawan1 aAhamed, Momin1 aPeter, Sebastian, C.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/exploring-electronic-modulation-controlling-activity-and-selectivity-ni-au-based-catalyst02902nas a2200289   4500008004100000022001400041245012300055210006900178260000800247300001100255490000800266520195400274653001802228653000802246653003102254653001302285653002902298653001902327100001902346700002202365700001902387700002302406700001602429700001902445700001802464856013002482       2025                        eng d  a1385-894700aFacet dependence for solvent-modulated proton-coupled electron transfer in furfural acetalization on Pd nanostructures0 aFacet dependence for solventmodulated protoncoupled electron tra  cJUN  a1631590 v5143 a<p>
	Furfural dialkyl acetals prepared via acetalization reaction of furfural and alcohols are promising biofuels. Using defined experiments and density functional theory (DFT) simulations, the structure-dependent activity and selectivity for furfural acetalization reaction in the presence of alcohols (methanol, ethanol, propanol and butanol) as solvents was studied over well-defined supported Pd nanostructures (octahedra (111), cubes (100) and spheres (both (111) and (100)). Pd cubes supported over TiO2 in the presence of ethanol as a solvent (at 303 K and balloon pressure H-2) exhibited 78 % conversion and 100 % selectivity for furfural diethyl acetal product in a short time (similar to 180 min). In contrast, Pd octahedra (111) and Pd spheres showed low conversions (18 % and 6 %) at the same reaction conditions. Interestingly, when used as a solvent, methanol showed the highest conversion (90 %) and selectivity (100 %) for furfural acetalization over Pd cubes. DFT simulations provided mechanistic insight into the reactivity of the two different Pd facets (111) and (100) in the presence of alcohol molecules towards furfural acetalization reaction. A three-step reaction mechanism was proposed for furfural acetalization with alcohols: (i) alcohol hydroxyl-dehydrogenation (ii) hydrogenation of furfural carbonyl oxygen, and (iii) formation of hemiacetal product. For all three steps, Pd (100) exhibited low activation barriers (51.6, 26.7 and 76.2 kJ/mol) compared to Pd (111) surface (78.6, 35.8 and 92.2 kJ/mol) in the presence of ethanol. The activation barriers for the above steps were further reduced to 47.8, 23.9 and 64.6 kJ/mol on Pd (100) in the presence of methanol, explaining the experimental high reactivity aided by methanol. DFT calculations elucidated the role of the hydrogen bonding network between the solvent molecules and adsorbate, enabling proton-coupled electron transfer for accelerated reactions.</p>
10aAcetalization10aDFT10afacet-dependent reactivity10afurfural10aFurfural dialkyl acetals10asolvent effect1 aPorwal, Govind1 aDandekar, Pallavi1 aGorai, Twinkle1 aKhan, Tuhin, Suvra1 aHaider, Ali1 aGupta, Shelaka1 aVinod, C., P.  uhttps://library.ncl.res.in/content/facet-dependence-solvent-modulated-proton-coupled-electron-transfer-furfural-acetalization02589nas a2200325   4500008004100000022001400041245014000055210006900195260000800264490000700272520142200279653002001701653001901721653002801740653002801768653003001796653003901826653001601865653001801881653005001899100002201949700002401971700002701995700002402022700001802046700002602064700001802090700002402108856013102132       2025                        eng d  a1613-681000aHot injection assisted electronically modulated twin and grain boundary rich sub-2 nm pt3co alloy resistant to phosphate ion for PEMFCs0 aHot injection assisted electronically modulated twin and grain b  cMAY0 v213 a<p>
	Modulation of the electronic d-band center, structural defects (line defects), and particle size of Pt3Co alloy electrocatalyst have huge significance in elevating its electrochemical oxygen reduction reaction activity. Deviating from traditional high-temperature strategies, the current work focuses on ripening these benefits by implying a simple economically viable hot-injection-assisted modified polyol process. A conclusive control over decrementing particle size starting from 2.7 to 1.3 nm, an increasing degree of strain (twin boundary), and shifting of the d-band center away from the Fermi level are obtained via varying the temperature to which the solution is injected. The catalyst prepared via the injection at 200 degrees C (Pt3Co(1.3 t,g-b)/fVC-200) has delivered an electrochemical surface area of 84 m(2) g(Pt)(-1) with the onset and half-wave potentials of 0.980 and 0.858 V, respectively, versus RHE and a limiting current of -6.0 mA cm(-2) with stability till 20k cycles. In the high-temperature proton exchange membrane fuel cell Pt3Co(1.3 t,g-b)/fVC-200-based cell has outperformed Pt/C rendering 600 mWcm(-2) under H-2-Air compared to 529 mWcm(-2) of Pt/C with 20% lower Pt loading and double the stability due to enhanced resistance toward phosphoric acid for accelerated voltage cycling. A similar enhancement is seen while employing the catalyst for low-temperature fuel cells.</p>
10aelectrocatalyst10agrain boundary10ahot injection synthesis10amodified polyol process10aoxygen reduction reaction10aproton exchange membrane fuel cell10aPt3Co alloy10atwin boundary10avalance band X-ray photoelectron spectroscopy1 aSingh, Mayank, U.1 aJadhav, Swapnil, D.1 aShivankar, Bhavana, R.1 aPandikassala, Ajmal1 aKumar, Yogesh1 aKrishnamurty, Sailaja1 aVinod, C., P.1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/hot-injection-assisted-electronically-modulated-twin-and-grain-boundary-rich-sub-2-nm-pt3co01795nas a2200181   4500008004100000022001400041245010900055210006900164260000800233300001600241490000700257520114000264100001801404700001801422700002301440700002301463856012701486       2025                        eng d  a0887-062400aHydrogenation of CO2 catalyzed by thermally decomposed cobalt-containing alkaline earth metal carbonates0 aHydrogenation of CO2 catalyzed by thermally decomposed cobaltcon  cJUN  a12982-129910 v393 a<p>
	CO2 hydrogenation over Co catalysts supported on alkaline earth metal oxides was investigated. The catalysts were prepared by thermally decomposing alkaline metal carbonates CoMCO3, where M = Mg, Ca, Sr, and Ba, in H2. During the thermal activation, contingent upon the thermal stability of the precursor, it transformed into a composite of metal oxides, metals, and undecomposed metal carbonates. The thermal activation temperature, the ratio of CO2 to H2, the composition, and the basicity of the catalyst all played a significant role in influencing the conversion of CO2 and the selectivity to CH4. Among the various Co-containing alkaline earth metal carbonate precursors, CoCaCO3 activated at 400 degrees C yielded the highest steady-state CO2 conversion of 54% with a CH4 selectivity of 89.8% throughout 28 h in the reaction stream containing a 1:4 ratio of CO2 and H2. Detailed characterization showed that the CaCo-400 catalyst contained metallic Co, CaO, and undecomposed CaCO3 phases. The study assumes significance in understanding the role of the composition of catalysts in the formation of CO2 hydrogenation.</p>
1 aGupta, Sharad1 aVinod, C., P.1 aPoupin, Christophe1 aJagadeesan, Dinesh  uhttps://library.ncl.res.in/content/hydrogenation-co2-catalyzed-thermally-decomposed-cobalt-containing-alkaline-earth-metal02981nas a2200277   4500008004100000022001400041245015800055210006900213260000800282300001600290490000700306520197400313653002102287653003202308653002102340653002902361653002202390653003802412100002002450700001802470700002402488700002402512700001802536700002402554856012502578       2025                        eng d  a2155-543500aA Pt-Based Carbon-Free Cathode with Embedded Oxygen Nanoreservoirs: A Promising Approach for Oxygen Buffering to Aid Oxygen Reduction Reactions of PEMFCs0 aPtBased CarbonFree Cathode with Embedded Oxygen Nanoreservoirs A  cNOV  a19677-196940 v153 a<p>
	For practical applications of proton exchange membrane fuel cells (PEMFCs), the system needs to be operated by employing air in the cathode instead of pure oxygen (O2). This makes it necessary to develop innovative electrode engineering solutions so that the system can function well even in oxygen-lean environments under the realistic working conditions of PEMFCs. Taking this into account, we introduce Pt/SiO2@CeO2-30%, an engineered electrocatalyst with potentially generated oxygen vacancies (Ov), which can immensely contribute toward the enhancement in the O2 availability in oxygen-lean conditions like the air feed conditions, allowing an effective control of the overpotential related to the oxygen reduction reactions (ORRs) at the electrode level. The meticulously crafted Pt-CeO2 interface serves as one of the appreciable structural attributes of the present catalyst, facilitating oxygen spillover toward the Pt environment, aided by the creation of the immense Ov along the nano CeO2 phase of the catalyst. In addition to the benefit of addressing the oxygen-lean conditions and overcoming the limitations of the state-of-the-art catalysts, usage of a noncarbonaceous support like SiO2 to house the Pt and CeO2 nanoparticles has been anticipated to lessen the corrosion problems, a major drawback associated with the carbon-based ORR catalysts. Apart from this, a significant contribution of SiO2 to the self-humidification of the ionomer interface plays a crucial role in enabling the MEA to work under low relative humidity conditions, which can be attributed to an additional benefit of the current composition of the catalyst. The catalyst demonstrated a promising ORR performance with a substantial improvement in H2-air feed circumstances and better corrosion resistance when tested with a membrane electrode assembly (MEA) in a single-cell configuration, illustrating the practical feasibility in a realistic system-level validation.</p>
10acarbon corrosion10acarbon-free electrocatalyst10aoxygen buffering10aoxygen reductionreaction10aoxygen spill over10aprotonexchange membrane fuel cell1 aYoyakki, Athira1 aKumar, Sachin1 aPandikassala, Ajmal1 aJadhav, Swapnil, D.1 aVinod, C., P.1 aKurungot, Sreekumar  uhttps://library.ncl.res.in/content/pt-based-carbon-free-cathode-embedded-oxygen-nanoreservoirs-promising-approach-oxygen01915nas a2200217   4500008004100000022001400041245013500055210006900190260000800259490000700267520113100274653002301405653002701428653002101455653002301476653001601499100001701515700001801532700001801550856012901568       2025                        eng d  a1867-388000aSelective hydrogenation of furfural to furfuryl alcohol over Pd supported on ternary oxide in aqueous medium under mild conditions0 aSelective hydrogenation of furfural to furfuryl alcohol over Pd   cAUG0 v173 a<p>
	We report palladium (Pd) supported on a mixed CuO/ZnO/Al2O3 catalyst for the synthesis of furfuryl alcohol (FA) from furfural (FF) using hydrogen under near atmospheric pressure (balloon pressure) conditions. A systematic study of various metal oxide combinations revealed that the best support for Pd nanoparticles is a CuO/ZnO/Al2O3 mixed system, which results in excellent catalytic performance. A series of control experiments highlighted the essential role of mixed Cu-Zn-Al oxide support in facilitating the adsorption and activation of FF. Our results demonstrate that under optimal conditions (40 degrees C, balloon pressure H2), the catalyst yields FF conversion exceeding 98%, with remarkable selectivity for FA reaching up to 99% with water as solvent. The catalyst exhibited almost comparable activity up to three catalytic cycles without extra catalyst treatment or reactivation with negligible Pd leaching. These findings shed insight into the design of mixed metal oxide-based support for active metal interactions in optimizing catalytic performance in furfural hydrogenation under mild conditions.</p>
10aBiomass conversion10aFurfural hydrogenation10aFurfuryl alcohol10amixed metal oxides10aPd catalyst1 aNehra, Pooja1 aBetsy, K., J.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/selective-hydrogenation-furfural-furfuryl-alcohol-over-pd-supported-ternary-oxide-aqueous01798nas a2200241   4500008004100000022001400041245013500055210006900190260000900259490000700268520094000275653001701215653003001232653002801262653001701290100001901307700002901326700001701355700001701372700002401389700001801413856012501431       2025                        eng d  a0947-653900aTunable, amine-functionalized porous silica catalyst for CO2 transformation into cyclic organic carbonates at atmospheric pressure0 aTunable aminefunctionalized porous silica catalyst for CO2 trans  cAUG 0 v313 a<p>
	A silica catalyst with characteristic features of broad pore size distribution, large pore width and tunable basic sites was synthesized by a one-step green co-condensation synthesis method analogous to SBA-15 synthesis. The surface chemical features of the above catalyst were explored by XPS, N-2 and CO2 adsorption and desorption experiments. The catalyst showed 90% conversion of styrene oxide (SO) with nearly complete selectivity toward styrene carbonate (SC) in 7 hours under a solvent-free condition at a temperature of 120 degrees C with the aid of co-catalyst tetrabutylammonium bromide (TBAB). Moreover, the catalyst demonstrates versatility with various epoxide substrates, providing valuable insights into the cycloaddition reaction under ambient pressure conditions involving carbon dioxide. The mechanistic details of the catalytic conversion were investigated by the in-situ DRIFT studies and reported here.</p>
10aCO2 fixation10acyclic organic carbonates10aheterogeneous catalysis10ain-situ FTIR1 aGorai, Twinkle1 aThanasekar, Chandragopal1 aKumar, Pawan1 aBabu, Athira1 aKurungot, Sreekumar1 aVinod, C., P.  uhttps://library.ncl.res.in/content/tunable-amine-functionalized-porous-silica-catalyst-co2-transformation-cyclic-organic02243nas a2200313   4500008004100000022001400041245015900055210006900214260000800283300001100291490000800302520113800310653002401448653001901472653002301491653002001514653002001534653003501554653002301589100002801612700002601640700002201666700002901688700001801717700002301735700002201758700001801780856013101798       2025                        eng d  a1385-894700aUnravelling the Cu-Co nanoparticle synergy over Ceria-Zirconia support toward efficient reverse water gas shift (RWGS) conversion under H2 lean conditions0 aUnravelling the CuCo nanoparticle synergy over CeriaZirconia sup  cMAR  a1607050 v5083 a<p>
	CO2 emissions leading to global warming and environmental and socio-economic issues have propelled the research community to develop technologies capable of capturing and converting CO2 into valuable products. Controlling the selectivity toward platform molecules like CO, methanol, or methane is a fundamental challenge in CO2 hydrogenation. Supported cobalt nanoparticles are known for hydrocarbon production through FischerTropsch (FT) reaction, and Cu-based catalysts are known for reverse water gas shift (RWGS) reaction. Here, we show that d-band centre can be carefully modulated by making bimetallic combinations of Cu and Co for a highly active RWGS catalyst. An oxygen vacancy-rich nanostructured ceria-zirconia (CZ) support with Cu nanoparticles (2 wt%) modified with as low as 0.05 wt% Co shows excellent conversion for CO2 hydrogenation and selectivity for CO below 500 degrees C. The optimized catalyst shows CO2 conversion even under hydrogen lean conditions (H2/ CO2 ratio 0.5:1), with a breakthrough rate of 206023 mmol/gmetal/h for CO at 600 degrees C, having H2 utilization of 80% for the RWGS process.</p>
10aBimetallic catalyst10aCeria-zirconia10aCO 2 hydrogenation10aCobalt catalyst10aCopper catalyst10aReverse water gas shift (RWGS)10asynergistic effect1 aJagtap, Anuradha, Vijay1 aBamnia, Mahesh, Kumar1 aMaibam, Ashakiran1 aBajpai, Jyotsna, Paliwal1 aGupta, Sharad1 aThomas, Sharon, K.1 aDabke, Niteen, B.1 aVinod, C., P.  uhttps://library.ncl.res.in/content/unravelling-cu-co-nanoparticle-synergy-over-ceria-zirconia-support-toward-efficient-reverse02006nas a2200241   4500008004100000022001400041245009800055210006900153260000800222300001400230490000700244520120700251100001701458700001801475700002301493700002101516700002301537700002401560700002201584700001601606700001801622856012401640       2026                        eng d  a2044-475300aDirect conversion of methane to formic acid over Au-Fe-NaZSM-5 at ambient pressure using H2O20 aDirect conversion of methane to formic acid over AuFeNaZSM5 at a  cMAR  a1797-18050 v163 a<p>
	Direct conversion of methane to value-added products is a long-standing challenge. This report presents the one-step conversion of methane to oxygenates using H2O2 as an oxidant over an Au and Fe supported on NaZSM-5 (0.1Au0.1FeNZ) catalyst, which produces 4264 mu mol of oxygenates with 89% selectivity toward formic acid at 10 bar and 60 degrees C within 30 min in a batch process. The catalyst also produces 26.5 mu mol of oxygenates with 70% selectivity for formic acid at atmospheric pressure and 80 degrees C in a continuous flow process over 9 h of reaction time, making it the first report of such a process. The synergistic interaction of Au and Fe, with the crucial role of Na ions in the zeolite framework in driving the reaction, is revealed through various characterization tools like TEM, XPS, and XAS. Theoretical studies elucidate the active sites responsible for lowering the activation barrier for the crucial C-H activation step. Thus, the catalyst enables the conversion of methane into formic acid with high activity and selectivity, offering new possibilities for harnessing this potent greenhouse gas under process-friendly conditions that were previously unexplored.</p>
1 aKumar, Pawan1 aAhangar, Iqra1 aKesarwani, Srishti1 aUrkude, Rajashri1 aPatil, Nita, A. R.1 aNiphadkar, Prashant1 aBokade, Vijay, V.1 aHaider, Ali1 aVinod, C., P.  uhttps://library.ncl.res.in/content/direct-conversion-methane-formic-acid-over-au-fe-nazsm-5-ambient-pressure-using-h2o2