Search Results - "Sahoo, Suman Kalyan"

Highly Durable Platinum Single‐Atom Alloy Catalyst for Electrochemical Reactions by Kim, Jiwhan, Roh, Chi‐Woo, Sahoo, Suman Kalyan, Yang, Sungeun, Bae, Junemin, Han, Jeong Woo, Lee, Hyunjoo

“…Single atomic Pt catalyst can offer efficient utilization of the expensive platinum and provide unique selectivity because it lacks ensemble sites. However,…”
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Oxidative Methane Conversion to Ethane on Highly Oxidized Pd/CeO2 Catalysts Below 400 °C by Kwon, Gihun, Shin, Dongjae, Jeong, Hojin, Sahoo, Suman Kalyan, Lee, Jaeha, Kim, Gunjoo, Choi, Juhyuk, Kim, Do Heui, Han, Jeong Woo, Lee, Hyunjoo

“…Methane upgrading into more valuable chemicals has received much attention. Herein, we report oxidative methane conversion to ethane using gaseous O2 at low…”
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Designing V single atom embedded carbon moiety for the electrocatalytic nitrogen reduction reaction by first principles study by Sahoo, Suman Kalyan, Brinck, Tore

“…Development of an efficient electrocatalyst for the nitrogen reduction reaction (NRR) to serve as an sustainable alternative to the Haber-Bosch process has…”
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Computational screening and investigation of ligand effect on TM single atom catalyst for hydrogen evolution reaction by Hemavathi, N.J., Majumder, Chiranjib, Kalyan Sahoo, Suman

“…TM SACs are designed by anchoring 16 TM (3d, 4d and 5d) atoms on N doped graphene substrate and investigated using density functional theory. The chemical…”
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Rational Design of TiC-Supported Single-Atom Electrocatalysts for Hydrogen Evolution and Selective Oxygen Reduction Reactions by Sahoo, Suman Kalyan, Ye, Youngjin, Lee, Seonggyu, Park, Jinkyu, Lee, Hyunjoo, Lee, Jinwoo, Han, Jeong Woo

“…We use a combination of density functional theory (DFT) calculations and experimental approaches to explore the stability and electrocatalytic activity of a…”
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Superiority of D–A–D over D–A type of organic dyes for the application in dye-sensitized solar cell by Biswas, Santu, Pramanik, Anup, Ahmed, Tasnim, Sahoo, Suman Kalyan, Sarkar, Pranab

“…[Display omitted] •DFT/TDDFT studies are performed on some D–A–D type of chromophores.•Photovoltaic properties are computed.•Effect of substitution by various…”
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Is mixed oxide of SnxTi1−xO2 more effective for H2O decomposition? A first principles study by Sahoo, Suman Kalyan, Nigam, Sandeep, Sarkar, Pranab, Majumder, Chiranjib

“…•Adsorption of water on rutile SnO2, TiO2, and mixed SnxTi1−xO2 (x=0.5) surface.•TiO2 prefers molecular adsorption.•SnO2 prefers dissociation of water with…”
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Chair like NiAu6: Clusters assemblies and CO oxidation study by ab initio methods by Nigam, Sandeep, Sahoo, Suman Kalyan, Sarkar, Pranab, Majumder, Chiranjib

“…•Chair like conformation of NiAu6.•Stability of chair probed by frequency analysis, minimum energy path, MD simulations.•Cluster assembly based on MAu6 (M=Ni,…”
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Is mixed oxide of Sn Ti1−O2 more effective for H2O decomposition? A first principles study by Sahoo, Suman Kalyan, Nigam, Sandeep, Sarkar, Pranab, Majumder, Chiranjib

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Size-dependent electronic structure of rutile TiO2 quantum dots by Sahoo, Suman Kalyan, Pal, Sougata, Sarkar, Pranab, Majumder, Chiranjib

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Oxidative Methane Conversion to Ethane on Highly Oxidized Pd/CeO 2 Catalysts Below 400 °C by Kwon, Gihun, Shin, Dongjae, Jeong, Hojin, Sahoo, Suman Kalyan, Lee, Jaeha, Kim, Gunjoo, Choi, Juhyuk, Kim, Do Heui, Han, Jeong Woo, Lee, Hyunjoo

“…Methane upgrading into more valuable chemicals has received much attention. Herein, we report oxidative methane conversion to ethane using gaseous O at low…”
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Influence of Sn interaction on the structural evolution of Au clusters: A first principles study by Sahoo, Suman Kalyan, Nigam, Sandeep, Sarkar, Pranab, Majumder, Chiranjib

“…[Display omitted] ► Structural and electronic properties of AunSn (n=2–13) clusters. ► Growth pattern of Sn doped Au clusters are different than free Aun…”
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Ionic Lockdown: Sealing Migration Channels across Device Interfaces in Mixed Halide Perovskite Solar Cells by Pasha, Altaf, Bhardwaj, Shubhangi, Torma, Andrew, A. B., Kaveramma, Naik, Nagaraj S., Metcalf, Isaac, S. K., Mukaddar, Zhang, Hao, Padaki, Mahesh, Sahoo, Suman Kalyan, Mohite, Aditya D., Avasthi, Sushobhan, Balakrishna, R. Geetha

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Oxidation of tin clusters: A first principles study by Sahoo, Suman Kalyan, Nigam, Sandeep, Sarkar, Pranab, Majumder, Chiranjib

“…[Display omitted] ► O2 interaction with small tin clusters. ► O2 prefers dissociative adsorption. ► Higher stability of Sn2O2. ► Oxygen atoms are attached to…”
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Size-dependent electronic structure of rutile TiO 2 quantum dots by Sahoo, Suman Kalyan, Pal, Sougata, Sarkar, Pranab, Majumder, Chiranjib

“…The electronic structure of relatively large size TiO 2 quantum dots are explored. The passivation of surface Ti with –OH groups and surface O atoms with –H…”
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