Publications

Developing minimally-empirical tight-binding model for transition metals to accelerate catalysis and non-covalent interaction studies

Published in in preparation, 2025

Recommended citation: Gautam-2025-ntb-la-h2o

Recommended citation: Gautam-2025-ntb-la-h2o

Elucidating the electronic effects of substituent on N-Heterocyclic carbene stability on gold nanoclusters

Published in in preparation, 2025

Recommended citation: Gautam-2025-nhc-stability

Recommended citation: Gautam-2025-nhc-stability

Planar chiral metallopolymers for electrochemically-mediated enantioselective separations

Published in submitted, 2025

Recommended citation: Jeon-2025-planar-selectivity

Recommended citation: Jeon-2025-planar-selectivity

Role of surface oxygen in α-MoC catalyst stability and activity under electrooxidation conditions

Published in in revision, 2025

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Recommended citation: Gautam-2025-amoc-faeo https://doi.org/10.26434/chemrxiv-2024-xwh17

Implication of surface oxidation of nanoscale molybdenum carbide on electrocatalytic activity

Published in Journal of Materials Chemistry A, 2024

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Recommended citation: Yu-2024-beta-mo2c https://doi.org/10.1039/D4TA01746C

Defect Engineering of WO3 by Rapid Flame Reduction for Efficient Photoelectrochemical Conversion of Methane into Liquid Oxygenates

Published in Nano Letters, 2023

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Recommended citation: Woo-2023-wo3-ch4-oxidation https://doi.org/10.1021/acs.nanolett.3c03131

Inferring layer-by-layer composition in Au-Ag nanoparticles using a combination of X-ray Photoelectron Spectroscopy and Monte Carlo simulations

Published in Surface Science, 2020

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Recommended citation: Arif-2020-inferring https://doi.org/10.1016/j.susc.2019.121503