01717nas a2200217 4500008004100000022001400041245009500055210006900150260006900219300001200288490000700300520095400307653001301261653001401274653001901288653001601307653000801323100001801331700002201349856012801371 2006 eng d a0300-944000aConducting polymer based hybrid nano-composites for enhanced corrosion protective coatings0 aConducting polymer based hybrid nanocomposites for enhanced corr aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcDEC a332-3360 v573 a

Hybrid composite coatings containing zinc oxide (ZnO) and polyaniline (PANI) as nano-additives dispersions were prepared with poly(vinyl acetate) (PVAc) as the major matrix. The steel plates dip-coated with these formulations were tested for corrosion protection by immersion in saline water over long periods. The Tafel plots for the determination of open circuit potential (OCP) and corrosion current (I-corr) were recorded. The coatings containing both ZnO and PANI showed improved corrosion resistance as compared to the single component coating. The I-corr values of PVAc-ZnO-PANI are found to be two-order magnitude lower than that of PVAc and PVAc-ZnO coatings. The results are explained on the basis of enhancement in barrier properties due to nano-particulate additives in PVAc-ZnO-PANI film together with the redox behaviour of PANI and protective oxide layer formation near the substrate. (C) 2006 Elsevier B.V All rights reserved.

10aCoatings10acorrosion10anano-additives10apolyaniline10aZnO1 aPatil, R., C.1 aRadhakrishnan, S. uhttps://library.ncl.res.in/content/conducting-polymer-based-hybrid-nano-composites-enhanced-corrosion-protective-coatings-002051nas a2200193 4500008004100000022001400041245009600055210006900151260007300220300001000293490000800303520131700311653001801628653004401646653001801690653000801708100001801716856012301734 2006 eng d a0926-860X00aPhotocatalytic degradation of organic contaminants in water by ZnO nanoparticles: revisited0 aPhotocatalytic degradation of organic contaminants in water by Z aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY a55-610 v3043 a

Nanoscale photocatalysts have attracted much attention due to their high surface area to volume ratios. This work investigates the photodegradation of organic contaminants using the fluorescence emission characteristics of ZnO nanoparticles (ZnO-nano) in aqueous solutions. This is accomplished by preparing nanocrystalline ZnO; the presence of organic contaminants in water is readily detected from the quenching of fluorescence observed from ZnO semiconductor films. Photolysis of ZnO thin films immersed into an aqueous system containing organic contaminants results in the degradation of the contaminants. A comprehensive study has been done involving several organic contaminants in water (like aliphatic and aromatic chloro compounds as well as some commonly used aromatic solvents) to check the suitability of ZnO-nano as an efficient photocatalyst. The ZnO nanoparticles not only serve as a better catalytic system compared to bulk ZnO and commercially available Degussa TiO2 in achieving degradation of the added contaminants, but unlike other semiconductor systems can also act as a non-specific sensor for the presence of these common contaminants in water. A total cleanup of a cocktail of contaminants in water was also achieved using the ZnO-nano. (c) 2006 Elsevier B.V. All rights reserved.

10aNanoparticles10aorganic contaminants and photocatalysis10aSemiconductor10aZnO1 aHariharan, C. uhttps://library.ncl.res.in/content/photocatalytic-degradation-organic-contaminants-water-zno-nanoparticles-revisited-001460nas a2200217 4500008004100000022001400041245004500055210004500100260009900145300001200244490000700256520078700263653002301050653001901073653001801092653000801110100001801118700001901136700001301155856007401168 2007 eng d a0272-884200aInfluence of surfactant on ZnO varistors0 aInfluence of surfactant on ZnO varistors aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLANDbELSEVIER SCI LTDcMAR a289-2910 v333 a

ZnO varistors with and without surfactant such as sodium dodecyl sulphate (SIDS) are prepared by nitrate-combustion process. The samples were identically heat treated and sintered at 1000 degrees C for 12 h to study the influence of the surfactant on the nonlinear electrical properties of polycrystalline ZnO. It is observed that the nonlinear coefficient decreases marginally (alpha = 35) for samples prepared with surfactant, whereas breakdown field (E-B = 130 V/mm) decreased significantly. The corresponding parameters for the samples synthesized without surfactant are alpha = 45 and E-B = 400 V/mm. Hence, this method can be used for the manufacture of varistors with low to moderate breakdown fields. (c) 2005 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

10aChemical synthesis10aSemiconductors10aX-ray methods10aZnO1 aDhage, S., R.1 aNavale, S., C.1 aRavi, V. uhttps://library.ncl.res.in/content/influence-surfactant-zno-varistors02140nas a2200253 4500008004100000022001400041245008800055210006900143260006900212300001200281490000800293520130500301653002001606653001701626653000801643653001101651653000801662100001901670700001301689700002201702700001901724700002101743856012201764 2007 eng d a0925-400500aLow temperature synthesis and NOx sensing properties of nanostructured Al-doped ZnO0 aLow temperature synthesis and NOx sensing properties of nanostru aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcOCT a382-3860 v1263 a

Although ZnO is studied intensively as a sensing material, there are limited reports available on aluminum-doped ZnO (AZO) as a NO, sensor. This paper reports selective NO, sensing characteristics of M-doped ZnO synthesized in the form of porous pellets sintered at 350 degrees C. The salient feature of our experimental results is that our sensor can detect small concentrations of NO, at lower operating temperature. It is also observed that as compared to gases such as SOx HCl, LPG, H2S, H-2, ammonia, alcohol and acetone it selectively detects NOx due to Al-doping. The amount of Al in ZnO during synthesis is varied between 1 and 10 wt%. Our sensor senses NO, concentration as low as 20ppm at 100 degrees C with a %response of 11 and a %response of 740 at 300 degrees C for 1 wt% Al. Of all the compositions with Al-doping, I wt% is found to give best results. Sensing experiments carried out at 350 C, however. do not show any significant improvement in the gas sensing properties. The phase contents and lattice parameters were determined by XRD and the average particle size was obtained using Scherrer formula. A probable mechanism for sensing NO, involving oxygen ion adsorption and desorption on the surface of sensor has been suggested. (C) 2007 Elsevier B.V. All rights reserved.

10aaluminum doping10ananomaterial10aNOx10aSensor10aZnO1 aNavale, S., C.1 aRavi, V.1 aMulla, Imtiaz, S.1 aGosavi, S., W.1 aKulkarni, S., K. uhttps://library.ncl.res.in/content/low-temperature-synthesis-and-nox-sensing-properties-nanostructured-al-doped-zno-002200nas a2200229 4500008004100000022001400041245009100055210006900146260007300215300001400288490000700302520140100309653001401710653001501724653001901739653002201758653000801780100002401788700001901812700002201831856011701853 2008 eng d a0039-914000aControlled synthesis of ZnO from nanospheres to micro-rods and its gas sensing studies0 aControlled synthesis of ZnO from nanospheres to microrods and it aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUN a1315-13190 v753 a

1D ZnO rods are synthesized using less explored hydrazine method. Here we find, besides being combustible hydrazine can also be used as a structure-directing agent. The ratio of zinc nitrate (ZN) to hydrazine is found to control the morphology of ZnO. At lower concentration of ZN as compared with hydrazine the morphology of ZnO is found to be spherical. As we increase the hydrazine content the morphology changes from spherical (diameter similar to 100 nm) to the elongated structures including shapes like Y, T as well dumbbell (diameter similar to 40 nm and length similar to 150 nm). Interestingly for more than 50% of hydrazine ZnO micro-rods are formed. Such rods are of diameter similar to 120 mn having length of about 1 mu m for ZN to hydrazine ratio of 1:9, isolated as well as bundle of rods are seen in scanning electron microscopy (SEM). The X-ray diffraction (XRD) reveals the phase formation with average particle size of 37 nm as calculated using Scherrer's formula. The high-resolution transmission electron microscopy (HRTEM) is also done to confirm the d-spacing in ZnO. Gas sensing study for these samples shows high efficiency and selectivity towards LPG at all operating temperatures. Photoluminescence (PL) study for these samples is performed at room temperature to find potential application as photoelectric material. (C) 2008 Elsevier B.V. All rights reserved.

10aHydrazine10aLPG sensor10aNanostructures10aphotoluminescence10aZnO1 aNavale, Shalaka, C.1 aGosavi, S., W.1 aMulla, Imtiaz, S. uhttps://library.ncl.res.in/content/controlled-synthesis-zno-nanospheres-micro-rods-and-its-gas-sensing-studies-002154nas a2200265 4500008004100000022001400041245005700055210005600112260006900168300001200237490000800249520136900257653002001626653000801646653000801654653001501662653000801677100002401685700001301709700001701722700002201739700001901761700002101780856008701801 2008 eng d a0925-400500aEPR and DRS evidence for NO2 sensing in Al-doped ZnO0 aEPR and DRS evidence for NO2 sensing in Aldoped ZnO aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR a668-6730 v1303 a

Zinc oxide (ZnO) is a well-known semiconducting multifunctional material wherein properties right from the morphology to gas sensitivity can be tailor-made by doping or surface modification. Aluminum (Al)-incorporated porous zinc oxide (AI:ZnO) exhibits good response towards NO2 at low-operating temperature. The NO2 gas concentration as low as 20 ppm exhibits S = 17% for 5 wt. % Al-incorporated ZnO. The NO2 response increases with operating temperature and concentration and reaches to its maximum at 300 degrees C without any interference from other gases such as SO3, HCl, LPG and alcohol. Physico-chemical characterization likes differential thermogravimetric analysis (TG-DTA) electron paramagnetic resonance (EPR) and diffused reflectance spectroscopy (DRS) have been used to understand the sensing behavior for pure and A]-incorporated ZnO. The TG-DTA depicts formation of ZnO phase at 287 degrees C. The EPR study reveals distinct variation for O- (g=2.003) and Zn interstitial (g = 1.98) defect sites in pure and Al:ZnO. The DRS studies elucidate signature of adsorbed NO, species in aluminium-incorporated zinc oxide indicating its tendency to adsorb these species even at low temperatures. This paper is an attempt to correlate the gas sensing behavior with the physico-chemical studies such as EPR and DRS. (c) 2007 Published by Elsevier B.V.

10aaluminum doping10aDRS10aEPR10aNO2 sensor10aZnO1 aNavale, Shalaka, C.1 aRavi, V.1 aSrinivas, D.1 aMulla, Imtiaz, S.1 aGosavi, S., W.1 aKulkarni, S., K. uhttps://library.ncl.res.in/content/epr-and-drs-evidence-no2-sensing-al-doped-zno-002342nas a2200265 4500008004100000022001400041245006100055210006000116260009200176300001200268490000600280520146300286653001901749653002601768653001901794653000801813100002401821700002601845700002201871700002201893700002001915700002301935700002301958856009501981 2009 eng d a1662-525000aField emission properties of Al-doped ZnO nanostructures0 aField emission properties of Aldoped ZnO nanostructures aLAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLANDbTRANS TECH PUBLICATIONS LTDcJAN a231-2370 v53 a

Field emission from Al-doped ZnO nanostrcutures has been investigated in planar diode configuration under ultra high vacuum conditions. The Al-doped ZnO nanostructures were synthesized by co-precipitation method with varying aluminium concentrations. The as- synthesized product was characterized by x-ray diffraction, scanning electron microscope and energy dispersive x-ray analysis. The threshold field required to draw a current density of similar to 1 mu A/cm(2) was observed to be similar to 2.0 V/mu m and similar to 2.3 V/mu m for Al-doped ZnO nanostructures synthesized with aluminium concentrations of 1% and 3%, respectively. The Fowler- Nordheim (F-N) plots for both the specimens exhibit non-linear behaviour, which is observed to be specimen dependent. The nonlinearity observed in the F-N plots has been interpreted on the basis of the theory of electron emission from semiconductor emitters. The field enhancement factors, estimated from the slope of the F-N plots, are found to be similar to 9.3 x 10(3) and 3.9 x 10(3) for 1% and 3% Al-doped ZnO emitters, respectively. The high values of the field enhancement factor Suggest that the emission is from the nanostructures. The emission current stability measured at the preset value of similar to 2 mu A over a period of more than three hours is found to be fairly stable. The results indicate use of Al-doped ZnO nanostructures as promising emitters for field emission based devices.

10afield emission10aFowler-Nordheim plots10aNanostructures10aZnO1 aNavale, Shalaka, C.1 aSheini, Farid, Jamali1 aPatil, Sandip, S.1 aMulla, Imtiaz, S.1 aJoag, Dilip, S.1 aMore, Mahendra, A.1 aGosavi, Suresh, W. uhttps://library.ncl.res.in/content/field-emission-properties-al-doped-zno-nanostructures-001602nas a2200253 4500008004100000022001400041245010500055210006900160260007100229300001400300490000600314520069700320653001901017653002501036653001901061653001701080653000801097100002601105700002301131700002001154700002201174700003001196856012201226 2010 eng d a1936-085100aFowler-nordheim plot behavior and mechanism of field electron emission from ZnO tetrapod structures 0 aFowlernordheim plot behavior and mechanism of field electron emi a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcOCT a5585-55900 v43 a

Field emission measurements of current-voltage characteristics are reported for tetrapod structures of ZnO. The nonlinear Fowler-Nordheim (FN) plot is analyzed according to a model of calculation based on saturation of conduction band current and predominance of valence band current at high-field values. The simulated FN plot exhibits similar features to those observed experimentally. The model of calculation suggests that the slope variation of the FN plot, in the high-field and low-field regions, does not depend on the magnitude of saturation. Instead, it is a characteristic of the energy band structure and voltage-to-barrier-field conversion factor of the emitting material.

10afield emission10aFowler-Nordheim plot10aNanostructures10anonlinearity10aZnO1 aAl-Tabbakh, Ahmed, A.1 aMore, Mahendra, A.1 aJoag, Dilip, S.1 aMulla, Imtiaz, S.1 aPillai, Vijayamohanan, K. uhttps://library.ncl.res.in/content/fowler-nordheim-plot-behavior-and-mechanism-field-electron-emission-zno-tetrapod-001760nas a2200229 4500008004100000022001400041245010300055210006900158260009500227300001200322490000800334520089600342653003601238653001901274653000801293100002201301700002201323700001401345700001901359700002601378856012601404 2011 eng d a0022-459600aRoom temperature ferromagnetism in undoped and Fe doped ZnO nanorods: microwave-assisted synthesis0 aRoom temperature ferromagnetism in undoped and Fe doped ZnO nano a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcFEB a391-4000 v1843 a

One-dimensional (1D) undoped and Fe doped ZnO nanorods of average length similar to 1 mu m and diameter similar to 50 nm have been obtained using a microwave-assisted synthesis. The magnetization (M) and coercivity (H-c) value obtained for undoped ZnO nanorods at room temperature is similar to 5 X 10(-3) emu/g and similar to 150 Oe, respectively. The Fe doped ZnO samples show significant changes in M -H loop with increasing doping concentration. Both undoped and Fe doped ZnO nanorods exhibit a Curie transition temperature (T-c) above 390 K. Electron spin resonance and Mossbauer spectra indicate the presence of ferric ions. The origin of ferromagnetism in undoped ZnO nanorods is attributed to localized electron spin moments resulting from surface defects/vacancies, where as in Fe doped samples is explained by F center exchange mechanism. (C) 2010 Published by Elsevier Inc.

10aDiluted magnetic semiconductors10aNanostructures10aZnO1 aLimaye, Mukta, V.1 aSingh, Shashi, B.1 aDas, Raja1 aPoddar, Pankaj1 aKulkarni, Sulabha, K. uhttps://library.ncl.res.in/content/room-temperature-ferromagnetism-undoped-and-fe-doped-zno-nanorods-microwave-assisted-002295nas a2200253 4500008004100000022001400041245017400055210006900229260007300298300001400371490000800385520135300393653001701746653001101763653001101774653001901785653001501804653000801819100002501827700001801852700002001870700002301890856012801913 2011 eng d a0169-433200aSynthesis of Cu-ZnO and C-ZnO nanoneedle arrays on zinc foil by low temperature oxidation route: effect of buffer layers on growth, optical and field emission properties0 aSynthesis of CuZnO and CZnO nanoneedle arrays on zinc foil by lo aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG a8366-83720 v2573 a

Different densities of ZnO nanoneedle films have been prepared by pre-coated zinc foils with thin layer of copper and carbon followed by thermal oxidation at 400 degrees C in air. The X-ray diffraction patterns show well defined peaks, which could be indexed to the wurtzite hexagonal phase of ZnO. The scanning electron microscope images clearly reveal formation of ZnO needles on the entire substrate surface. The X-ray photoelectron spectroscopy studies indicate that Cu and C ions are incorporated into the ZnO lattice. Photoluminescence studies evaluate different emission bands originated from different defect mechanism. From the field emission studies, the threshold field, required to draw emission current density of similar to 100 mu A/cm(2), is observed to be 2.25 V/mu m and 1.57 V/mu m for annealed zinc foil pre-coated with copper and carbon, respectively. The annealed film with copper layer exhibits good emission current stability at the pre-set value of similar to 100 mu A over a duration of 4 h. The results show that buffer layer is an important factor to control the growth rate, resulting in different density of ZnO needles, which leads to field emission properties. This method may have potential in fabrication of electron sources for high current density applications. (C) 2011 Elsevier B. V. All rights reserved.

10aBuffer layer10aCarbon10aCopper10afield emission10aNanoneedle10aZnO1 aJamali-Sheini, Farid1 aPatil, K., R.1 aJoag, Dilip, S.1 aMore, Mahendra, A. uhttps://library.ncl.res.in/content/synthesis-cu-zno-and-c-zno-nanoneedle-arrays-zinc-foil-low-temperature-oxidation-route-002066nas a2200241 4500008004100000022001400041245009300055210006900148260007300217300001400290490000700304520125600311653001301567653001701580653001301597653000801610653001901618653000801637100001801645700002001663700001901683856012201702 2013 eng d a0928-493100aProbing interaction of Gram-positive and Gram-negative bacterial cells with ZnO nanorods0 aProbing interaction of Grampositive and Gramnegative bacterial c aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR a1247-12530 v333 a

In the present work, the physiological effects of the ZnO nanorods on the Gram positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Aerobacter aerogenes) bacterial cells have been studied. The analysis of bacterial growth curves for various concentrations of ZnO nanorods indicates that Gram positive and Gram negative bacterial cells show inhibition at concentrations of similar to 64 and similar to 256 mu g/mL respectively. The marked difference in susceptibility towards nanorods was also validated by spread plate and disk diffusion methods. In addition, the scanning electron micrographs show a clear damage to the cells via changed morphology of the cells from rod to coccoid etc. The confocal optical microscopy images of these cells also demonstrate the reduction in live cell count in the presence of ZnO nanorods. These, results clearly indicate that the antibacterial activity of ZnO nanorods is higher towards Gram positive bacterium than Gram negative bacterium which indicates that the structure of the cell wall might play a major role in the interaction with nanostructured materials and shows high sensitivity to the particle concentration. (C) 2012 Elsevier B.V. All rights reserved.

10aConfocal10aGrowth curve10aNanorods10aSEM10aZeta potential10aZnO1 aJain, Aanchal1 aBhargava, Richa1 aPoddar, Pankaj uhttps://library.ncl.res.in/content/probing-interaction-gram-positive-and-gram-negative-bacterial-cells-zno-nanorods-001929nas a2200229 4500008004100000022001400041245009300055210006900148260010600217300001200323490000800335520110400343653000901447653001501456653001701471653000801488100001701496700002401513700002401537700001801561856012001579 2014 eng d a0038-092X00aComparative study on the dye sensitized solar cell performance of solution processed ZnO0 aComparative study on the dye sensitized solar cell performance o aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a143-1510 v1023 a

We have monitored the performance of the dye-sensitized solar cells (DSSC) using solution processed ZnO having different shapes and aspect ratios. The aspect ratio and surface area of the ZnO structures have been regulated by carefully controlling the precursor concentration and reaction conditions. The shape of the synthesized structures has been varied from larger rods to smaller rods to hexagonal prisms. The synthesized hexagonal prism shaped ZnO with an aspect ratio of around one exhibited the highest surface area of 42 m(2)/g. The ZnO rods with higher aspect ratios of 5 and 16 exhibited lower surface areas of 22 and 2 m(2)/g, respectively. The dye sensitized solar cells constructed using the as-prepared ZnO structures and N719 dye molecules, exhibited efficiencies that varied as a function of surface area of the samples, with ZnO hexagonal prism exhibiting a maximum efficiency of around 1.38 +/- 0.01%. The results indicated a direct correlation between the surface area of the ZnO structures and the energy conversion efficiency. (C) 2014 Elsevier Ltd. All rights reserved.

10aDSSC10aPhotoanode10asurface area10aZnO1 aJana, Arpita1 aDas, Partha, Pratim1 aAgarkar, Shruti, A.1 aDevi, Sujatha uhttps://library.ncl.res.in/content/comparative-study-dye-sensitized-solar-cell-performance-solution-processed-zno-001785nas a2200253 4500008004100000022001400041245008200055210006900137260007300206300001200279490000700291520094300298653000901241653001501250653001301265653002301278653000801301100002401309700002601333700002401359700001701383700001801400856011301418 2015 eng d a1293-255800aPhotochemical performance of ZnO nanostructures in dye sensitized solar cells0 aPhotochemical performance of ZnO nanostructures in dye sensitize aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcOCT a237-2430 v483 a

In this work, the photoconversion efficiencies of ZnO having diverse microstructures and structural defects have been investigated. A conversion efficiency of 138% was achieved for the DSSCs fabricated with as prepared ZnO nanorods having minimum vacancy defects and a favourable one dimensional directional pathway for electron conduction. The DSSCs fabricated with ZnO nanoparticles exhibited relatively low conversion efficiency of 1.004% probably due to multiple trapping/detrapping phenomena within the grain boundaries and ZnO flowers though exhibited a high dye adsorption capability exhibited the lowest conversion efficiency of 0.59% due to a high concentration of structural defects. Based on the experimental evidences, we believe that the type of defects and their concentrations are more important than shape in controlling the overall performance of ZnO based DSSCs. (C) 2015 Elsevier Masson SAS. All rights reserved.

10aDSSC10aEfficiency10aEmission10aStructural defects10aZnO1 aDas, Partha, Pratim1 aMukhopadhyay, Soumita1 aAgarkar, Shruti, A.1 aJana, Arpita1 aDevi, Sujatha uhttps://library.ncl.res.in/content/photochemical-performance-zno-nanostructures-dye-sensitized-solar-cells-002541nas a2200253 4500008004100000022001400041245016400055210006900219260000800288300001400296490000800310520162600318653003101944653002001975653001901995653000802014100002802022700002002050700002002070700002402090700003002114700002102144856012202165 2019 eng d a0169-433200aEvolution of ZnO nanostructures as hexagonal disk: Implementation as photoanode material and efficiency enhancement in Al: ZnO based dye sensitized solar cells0 aEvolution of ZnO nanostructures as hexagonal disk Implementation cMAR a1130-11380 v4703 a

Hexagon shaped pristine and Al doped ZnO nanodisks (NDs) with exposed +/- [0001] polar facets were successfully synthesized using modified sol-gel method without the involvement of any structural directing or capping agents. It was investigated that OH- ions in mixed solvent system is responsible for pore formation and inhibit the growth of ZnO along the direction of c-axis leading to a high percentage exposure of active +/- [0001] polar facets and encourage the formation of ZnO NDs. Crystallographic analysis revealed that crystallite size and lattice constants are decreased, with the addition of Al3+ ions. The results obtained from Raman, and XPS analysis further corroborated with the XRD results, revealed the successful incorporation of Al3+ ions into ZnO lattice. Optical study revealed the band gap tunability with the incorporation of Al ion as dopant. Enhanced power conversion efficiency (PCE) of 1.96% (J(sc) similar to 7.69 +/- 0.23 mA/cm(2)) was observed for Al: ZnO hexagonal NDs based DSSC. The increased PCE in Al: ZnO based DSSC can be attributed to the higher inner surface area for dye anchoring by the interconnected network of the disk-like structure. The obtained results were satisfactory and most importantly the synthesis procedure proposed in present work is excellent for the synthesis of perfectly hexagonal shaped disks under precised synthesis parameters. The device interface study was further conducted using electrochemical impedance spectroscopy which revealed better charge transport process and charge storage ability with the incorporation of Al3+ ions into ZnO lattice.

10adye sensitized solar cells10aHexagonal disks10aSol-gel method10aZnO1 aParra, Mohammad, Ramzan1 aPandey, Padmini1 aSiddiqui, Hafsa1 aSudhakar, Vediappan1 aKrishnamoorthy, Kothandam1 aHaque, Fozia, Z. uhttps://library.ncl.res.in/content/evolution-zno-nanostructures-hexagonal-disk-implementation-photoanode-material-and02339nas 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-magnetic02064nas a2200205 4500008004100000022001400041245010300055210006900158260000800227300001100235490000800246520139700254653000801651653000901659653002501668653000801693100001801701700001801719856012101737 2022 eng d a0169-433200aFrom molecular adsorption to decomposition of methanol on various ZnO facets: a periodic DFT study0 aFrom molecular adsorption to decomposition of methanol on variou cNOV a1541500 v6023 a

Methanol is an interesting and important molecule to study because of its potential to replace existing fuels. It is also a prominent hydrogen source which can be used to generate hydrogen in-situ. ZnO is widely used as catalyst in synthesis of methanol from CO2 at industrial scale. In this work, we demonstrate that the same catalyst could be used for MeOH decomposition. We have investigated interaction of methanol with various flat and stepped facets of ZnO by employing Density Functional Theory (DFT). Two flat [(10(1)overbar 0) and (11(2)overbar 0)] and two stepped [(10(1)overbar 3) and (11(2)overbar 2)] facets are studied in detail for methanol adsorption. Chemisorption of MeOH with varying strength is common to all four facets. Most importantly spontaneous dissociation of O-H bond of methanol is observed on all facets except (11(2)overbar 0). Our DFT calculations reveal that molecular adsorption is favored on flat facets, while dissociation is favored on step facets. Also, (10(1)overbar 0) facet undergoes substantial reconstruction upon MeOH adsorption. Activation of C-H bond along with strengthening of C-O bond on ZnO facets suggest partial oxidation of methanol. With our DFT investigations, we dig deeper into the underlying electronic structure of various facets of ZnO and provide rationale for the observed facet dependent interaction of ZnO with MeOH.

10aDFT10aMeOH10aSurface interactions10aZnO1 aMehta, Shweta1 aJoshi, Kavita uhttps://library.ncl.res.in/content/molecular-adsorption-decomposition-methanol-various-zno-facets-periodic-dft-study01605nas a2200217 4500008004100000022001400041245009500055210006900150260000800219300001100227490000800238520091100246653000801157653002601165653001301191653002101204653000801225100001801233700001801251856011801269 2023 eng d a0039-602800aElectronic fingerprints for diverse interactions of methanol with various Zn-based systems0 aElectronic fingerprints for diverse interactions of methanol wit cOCT a1223500 v7363 a

We have investigated various Zn-based catalysts for their interaction with methanol (MeOH). MeOH is one of the most critical molecules being studied extensively, and Zn-based catalysts are widely used in many industrially relevant reactions involving MeOH. We note that the same element (Zn and O, in the present study) exhibits different catalytic activity in different environments. The changing environment is captured in the underlying electronic structure of the catalysts. In the present work, we compared the electronic structure of Zn-based systems, i.e., ZnAl2O4 and ZnO along with oxygen preadsorbed Zn (O-Zn) and metallic Zn. We demonstrate the one-to-one correlation between the pDOS of the bare facet and the outcome of that facet's interaction (i.e. either adsorption or dissociation of MeOH) with MeOH. These findings would pave the way towards the in-silico design of catalysts.

10aDFT10aElectronic properties10aMethanol10aZn-based systems10aZnO1 aMehta, Shweta1 aJoshi, Kavita uhttps://library.ncl.res.in/content/electronic-fingerprints-diverse-interactions-methanol-various-zn-based-systems02270nas a2200253 4500008004100000022001400041245017900055210006900234260000800303300001500311490000600326520131200332653004101644653002001685653001801705653001901723653000801742100002601750700002701776700002701803700002701830700002801857856013101885 2023 eng d a2365-654900aSelective one pot multicomponent green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives utilizing enhanced Lewis acidic sites of Surfactant-assisted ZnO catalyst0 aSelective one pot multicomponent green synthesis of 3arylarylthi cMAY ae2023007360 v83 a

Five different ZnO nanocrystallites (ZnO-1 to ZnO-5) were successfully synthesized by a surfactant-assisted hydrothermal technique using various surfactants. All the ZnO nanocrystallites are thoroughly characterized by XRD, IR, UV-DRS spectroscopy and FESEM-EDS analysis. Among the synthesized ZnO nanocrystallites, the CTAB-assisted synthesized ZnO-4 exhibited a fine disc-like morphology with a minimum crystallite size (23 nm). Subsequent to reaction optimization studies, the ZnO-4 is utilized as an efficient catalyst for one pot-three component green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indoles (4a-4p) via. condensation of a variety of indoles, aromatic aldehydes and aromatic thiols at room temperature in water. The single-crystal X-ray structure of 3-[(phenyl)(phenylthio)methyl]-1H-indole (4a) is also been reported (CCDC 2170437). The Lewis acidic property of the catalyst-supported probable mechanism is well proposed subsequent to pyridine-IR studies of the ZnO catalysts. Indeed, CTAB-assisted synthesized ZnO-4 was found to be most effective and selective Lewis acid catalyst for the synthesis of a variety of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives in water at ambient temperature with merits like higher yields, lower reaction time, catalyst recovery and reuse.

10a3-[(aryl)(arylthio)methyl]-1H-indole10agreen synthesis10aLewis acidity10aSingle crystal10aZnO1 aSangale, Vijay, B. B.1 aJagtap, Rohidas, M. M.1 aMali, Bhupendra, P. P.1 aGonnade, Rajesh, G. G.1 aPardeshi, Satish, K. K. uhttps://library.ncl.res.in/content/selective-one-pot-multicomponent-green-synthesis-3-arylarylthiomethyl-1h-indole-derivatives01960nas a2200229 4500008004100000022001400041245009500055210006900150260000900219300001100228490000800239520124200247653000801489653001701497653000901514653000801523100001801531700002001549700002801569700001801597856011501615 2024 eng d a0169-433200aFrom digital blueprint to chemical reality: methanol to formaldehyde at ambient conditions0 aFrom digital blueprint to chemical reality methanol to formaldeh cOCT  a1605270 v6693 a

Partial oxidation of methanol to value added product presents an intriguing yet challenging process. Among these products, formaldehyde is the simplest and one of the most vital aliphatic aldehydes, which has extensive application across various domains. Industrially, silver and iron-molybdenum oxides are used as catalysts for the conversion of methanol to formaldehyde at elevated temperatures (600 degrees C and 250-400 degrees C, respectively). However, in this computational and experimental study, we have demonstrated the efficacy of ZnO as a catalyst. Notably, in the presence of ZnO, methanol readily converts to formaldehyde even under ambient conditions. We employed periodic density functional theory (DFT) to explore (10 1 1) facet of ZnO to elucidate its interaction with methanol. Our comprehensive analysis identified the most active facet (10 1 1) involved in the spontaneous conversion of methanol to formaldehyde. Subsequently, experimental validation supported our theoretical findings, demonstrating the conversion of methanol to formaldehyde with 100% selectivity at room temperature and atmospheric pressure in the presence of ZnO. This study exemplifies the pivotal role of theory in catalyst design.

10aDFT10aFormaldehyde10aMeOH10aZnO1 aMehta, Shweta1 aKasabe, Mirabai1 aUmbarkar, Shubhangi, B.1 aJoshi, Kavita uhttps://library.ncl.res.in/content/digital-blueprint-chemical-reality-methanol-formaldehyde-ambient-conditions02193nas a2200229 4500008004100000022001400041245012500055210006900180260000800249490000700257520138400264653001001648653003101658653000901689653001901698653003001717653000801747100002101755700002701776700002801803856013201831 2024 eng d a2468-023000aTuning the optical properties of Ln3+-doped-Y2O3@ZnO@Au core-shell heterostructures for visible-to-NIR photon harvesting0 aTuning the optical properties of Ln3dopedY2O3ZnOAu coreshell het cJAN0 v443 a

Here, compact Yb3+-Er3+-Tm3+ doped Y2O3 phosphor microspheres were synthesized by solvothermal method which gave emission in the entire visible region under 980 nm excitation. The effect of doping alkali ions like lithium on the upconversion emission of YYET phosphors is investigated. An epitaxial layer of ZnO is grown around the YYETL (Li+ doped YYET) microspheres by hydrothermal technique. An analysis of the influence of the ZnO shell thickness on the upconversion emission of core microspheres is done. Initial growth of a thin layer of ZnO on the YYETL microspheres causes enhancement in upconversion emission due to passivation of surface defects of core microspheres. Quenching of anti-Stokes emission occurs for thicker ZnO shell coating. Further, it is decorated with AuNPs to study the effect of plasmonics on the optical property of the developed heterostructure. The overlap between the upconversion emission spectra of core microspheres and the LSPR peak of AuNPs modulates the property of the entire structure. The optimized samples were checked for photocatalytic application by degradation of Rh6G dye under solar irradiation. YYETL@ZnO@Au core-shell samples exhibited highest rate constant of 0.00395 min(-1), which is attributed to better exploitation of the UV-Vis-NIR region of the solar spectrum by all three components of the heterostructure.

10aAuNPs10aCore-shell heterostructure10aLRET10aPhotocatalysis10aUpconversion microspheres10aZnO1 aJayswal, Shefali1 aLuwang, Meitram, Niraj1 aMoirangthem, Rakesh, S. uhttps://library.ncl.res.in/content/tuning-optical-properties-ln3-doped-y2o3znoau-core-shell-heterostructures-visible-nir-photon02057nas a2200205 4500008004100000022001400041245008000055210006900135260000800204300001100212490000800223520141000231653001701641653001501658653002401673653000801697100001701705700001801722856011101740 2026 eng d a0169-433200aWhen facets meet impurities: Trace gas dominance over CO2 adsorption on ZnO0 aWhen facets meet impurities Trace gas dominance over CO2 adsorpt cMAY a1661510 v7293 a

The catalytic hydrogenation of CO2 to methanol using Cu-ZnO/Al2O3 (CZA) is a key route for sustainable chemical production, when coupled with CO2-rich industrial off-gases. However, trace secondary gases, though present only at ppm levels, can poison active sites and suppress catalytic performance. In this work, we employ periodic density functional theory (DFT) to investigate interactions of H2S, SO2, NO2, NO, CO and CH4 with ZnO surfaces:(10(-)10), (10(-)11), (11(-)20), (10(-)13), and (11(-)22), and compared their adsorption pattern with CO2, the principle component of methanol synthesis. H2S dissociates on all the surfaces, SO2, and NO2 are chemisorbed, CH4 remains physisorbed, and NO, CO, and CO2 exhibit facet-dependent adsorption. Electronic structure analysis reveal that chemisorption occurs when surface energy states near the Fermi level overlap with HOMO of adsorbate, enabling charge transfer, whereas physisorption lacks such overlap. The adsorption strength follows the order: H2S SO2 NO2 NO CO CO2 CH4, suggesting that sulfur and nitrogen containing species exhibit strong chemisorption and compete with CO2 for active sites, potentially impacting the efficiency of methanol synthesis. These insights provide an atomic scale understanding of impurity-surface interactions and highlight potential role of ZnO as an efficient feed stock purifier for CO2-rich gas streams.

10aCZA catalyst10aflue gases10aValorization of CO210aZnO1 aBhati, Meema1 aJoshi, Kavita uhttps://library.ncl.res.in/content/when-facets-meet-impurities-trace-gas-dominance-over-co2-adsorption-zno