Oxygen Healing and CO 2 /H 2 /Anisole Dissociation on Reduced Molybdenum Oxide Surfaces Studied by Density Functional Theory
Author:
Affiliation:
1. Department of Chemical Engineering Indian Institute of Technology Kanpur Kanpur Uttar Pradesh 208016 India
2. Department of Sustainable Energy Engineering Indian Institute of Technology Kanpur Kanpur Uttar Pradesh 208016 India
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202200510
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1. Structures and reactivity of monomeric MoOx moieties supported on ZrO2 (111) slab: A DFT study;Journal of Catalysis;2024-01
2. First-principles Study on the Stability and Electronic Properties of Molybdenum (IV) Oxide Surfaces;J KOREAN CHEM SOC;2023
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