01617nas a2200241 4500008004100000022001400041245007700055210006900132260007100201300001400272490000700286520077800293100001701071700002101088700001901109700002901128700001801157700002201175700001901197700002401216700003001240856010501270 2009 eng d a0897-475600aElectronic structure and catalytic study of solid solution of GaN in ZnO0 aElectronic structure and catalytic study of solid solution of Ga a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL a2973-29790 v213 a

Solid solutions of GaN in ZnO (Zn1-zGaz)(O1-xNx) (x and z <= 0.15) have been prepared by simple solution combustion method, Except for minor changes in the lattice contraction, no significant change in the Wurtzite structure was observed. Raman and secondary ion mass spectrometry results show the direct Zn-N and Ga-N bonds in (Zn1-zGaz)(O1-xNx). Visible light absorption and XPS results demonstrate that N 2p states of nitride occupy the states above the O 2p valence band, and hence a change in optical band gap reduction occurs to similar to 2.5 eV from 3.37 eV for ZnO. Significant nitrogen fixation catalytic activity through NH3 formation has been observed at ambient pressure oil virgin (Zn1-zGaz)(O1-xNx) material, indicating its potential as a catalyst.

1 aMapa, Maitri1 aThushara, K., S.1 aSaha, Biswajit1 aChakraborty, Purushottam1 aJanet, C., M.1 aViswanath, R., P.1 aNair, Madhavan1 aMurty, K., V. G. K.1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/electronic-structure-and-catalytic-study-solid-solution-gan-zno-002123nas a2200217 4500008004100000022001400041245011900055210006900174260007100243300001200314490000700326520126200333100001701595700003301612700002001645700001901665700002901684700003101713700003001744856013101774 2010 eng d a0897-475600aStructure, electronic structure, optical, and dehydrogenation catalytic study of (Zn1-zInz)(O1-xNx) solid solution0 aStructure electronic structure optical and dehydrogenation catal a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJAN a565-5780 v223 a

Indium and nitrogen codoping in ZnO leads to a solid solution of InN in ZnO with I composition of(Zn1-zInz)(O1-xNx). A simple solution combustion method has been adopted to prepare the above materials in less than 10 min with metal nitrates as the metal loll source and urea as fuel. With reference to ZnO, significant increase in lattice parameters was observed with increasing In-content. However, the In2O3 phase was Observed along with InN for]it content >= 10%. Optical absorption extended into the Visible region, at least LIP to 550 nm, demonstrates an effective reduction of optical band gap due to the formation of solid Solution. A new feature observed just above O2p valence band in X-ray photoelectron spectroscopy (XPS) suggests the creation of N 2p states from InN; the N Is core level XPS result too confirms nitride contribution. Raman spectroscopy and secondary ion mass spectrometry results show direct In-N, Zn-N. and In-N-Zn fragments in (Zn1-zInz)(O1-x,N-x). Catalytic activity explored for Oxidation of 2-butanol to ethyl methyl ketone demonstrates a high selectivity at 350 and 400 degrees C. All of the above characteristics suggest the multifunctional nature of (Zn1-zInz)(O1-xNx) and its potential for other applications.

1 aMapa, Maitri1 aSivaranjani, Kumarsrinivasan1 aBhange, Deu, S.1 aSaha, Biswajit1 aChakraborty, Purushottam1 aViswanath, Annamraju, Kasi1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/structure-electronic-structure-optical-and-dehydrogenation-catalytic-study-zn1-zinzo1-xnx-003201nas a2200277 4500008004100000022001400041245016000055210006900215260000800284300001400292490000700306520221300313653002502526653002602551653001702577653002302594653001302617653002002630100001902650700002202669700002902691700002602720700002202746700002502768856013002793 2025 eng d a2168-048500aEnhanced Production and Techno-Economic Analysis of Sustainable Biofuel Production via Continuous Hydrogenation of Furfural Using the Cu-ZnO-Al2O3 Catalyst0 aEnhanced Production and TechnoEconomic Analysis of Sustainable B cFEB a3183-31990 v133 a

2-Methylfuran is a perfect green solution on the pathway of finding alternative fuels. We report here for the first time the continuous production of 2-methylfuran (2-MF), a sustainable biofuel from biomass-derived furfural (FFA), over an industrial Cu-ZnO-Al2O3 (CZA) catalyst. The modified coprecipitation method provides a uniformly dispersed crystalline structure to the synthesized catalysts, along with intended copper (Cu) loading achievement. Different Cu loadings affect the catalytic behavior and activity. Hence, CZA catalysts with two Cu loadings of 9.8 and 4.7% were studied in detail, denoted as C1 and C2, respectively. The catalysts were characterized via XRD, N-2 adsorption, H-2-TPR, NH3-TPD, XPS, ICP-MS, and TEM. Remarkably, the prepared catalysts demonstrate balanced acid sites with mesopores, a high surface area and pore volume, and better controlled nanoparticle size promoting catalytic activity. TEM and H-2-TPR studies reveal a better Cu dispersion. Existence of Cu2+ and Cu (+) even after reduction by XPS study proves the efficiency of the synthesized catalysts. Furthermore, TGA indicates the stability of CZA catalysts. To understand catalytic activity and selectivity, the investigation was carried out in a packed-bed fixed-bed stainless steel reactor. Better physiochemical properties result in high FFA conversion of 33.8% and selectivity of 99.6% for 2-MF. No side products were formed during reaction otherwise improbable via the continuous method. Compared with available literature, the CZA catalyst was found to exhibit superior catalytic performance. The reaction kinetics of furfural hydrogenation to 2-methylfuran was investigated, and it was found that the reaction order is high, and the activation energy was 61.2 kJ/mol. The rate constant k clearly obeyed the Arrhenius law from 180 to 220 degrees C. In addition, evaluation of reaction kinetics also indicated the absence of ring hydrogenation and decarbonylation products, which is difficult to achieve. Finally, the process shows significant economic viability, which resulted in the minimum levelized production cost for 2-methylfuran of 173,068.16 \$/ton with 78.32% overall energy efficiency.

10a2-methylfuran (2-MF)10acontinuous production10aCu-ZnO-Al2O310aeconomic viability10afurfural10agreen synthesis1 aSaha, Biswajit1 aRacha, Arundhathi1 aChaudhary, Puneet, Kumar1 aSingh, Brijesh, Kumar1 aSamanta, Chanchal1 aNewalkar, Bharat, L. uhttps://library.ncl.res.in/content/enhanced-production-and-techno-economic-analysis-sustainable-biofuel-production-continuous01554nas a2200205 4500008004100000022001400041245008300055210006900138260000800207300001600215490000700231520088700238100002701125700002001152700001701172700001701189700001901206700001901225856010401244 2025 eng d a1477-922600aManganese(i)-catalyzed dehydrogenative borylation of terminal alkynes0 aManganesescisccatalyzed dehydrogenative borylation of terminal a cJUL a10426-104320 v543 a

Compounds containing carbon-boron bonds serve as valuable intermediates for constructing more complex molecules by transforming these bonds into other carbon-element bonds. The catalytic dehydrogenative borylation of carbon-hydrogen bonds using HBpin presents an appealing method for synthesizing carbon-boron bonds. While this approach has been extensively explored with noble metals for various types of carbon-hydrogen bonds, its application with manganese-based catalysts remains rare. This study explores a dehydrogenative borylation process employing an Earth-abundant transition metal catalyst, FcbpyMn(CO)3Br (Mn(i)), in combination with HBpin under mild conditions. Arylalkynes featuring electron-withdrawing, electron-donating, and heteroaryl substituents yielded good to excellent results. Thorough DFT calculations were performed to understand the mechanism.

1 aGhanwat, Pratiksha, B.1 aBora, Debashree1 aPandya, Rinu1 aVanka, Kumar1 aSaha, Biswajit1 aSen, Sakya, S. uhttps://library.ncl.res.in/content/manganesei-catalyzed-dehydrogenative-borylation-terminal-alkynes