Exploring promising gas sensing and highly active catalysts for CO oxidation: transition-metal (Fe, Co and Ni) adsorbed Janus MoSSe monolayers
Author:
Affiliation:
1. School of Physics
2. University of Electronic Science and Technology of China
3. Chengdu 611731
4. China
5. School of Sciences
6. Xi'an Technological University
7. Xi'an 710021
Abstract
From first-principles calculations, the transition-metal (TM) atom (Fe, Co and Ni) adsorbed Janus MoSSe monolayer, toxic gas molecules (CO, NH3 and H2S) adsorbed on Ni-MoSSe monolayers and CO catalytic oxidation on Fe-MoSSe monolayers are systematically investigated.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Shanxi Province
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00994J
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