Exploring promising gas sensing and highly active catalysts for CO oxidation: transition-metal (Fe, Co and Ni) adsorbed Janus MoSSe monolayers-Reference-Cited by-同舟云学术

Exploring promising gas sensing and highly active catalysts for CO oxidation: transition-metal (Fe, Co and Ni) adsorbed Janus MoSSe monolayers

Published:2021 Issue:18 Volume:23 Page:11004-11014
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Guo Jia-Xing¹²³⁴^ORCID,Wu Shao-Yi¹²³⁴,Zhong Si-Ying¹²³⁴,Zhang Gao-Jun¹²³⁴,Yu Xing-Yuan¹²³⁴,Wu Li-Na⁵⁶⁷⁴

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

Reference77 articles.

1. Induced spin polarization in graphene via interactions with halogen doped MoS2 and MoSe2 monolayers by DFT calculations

2. Area-Selective Atomic Layer Deposition of Two-Dimensional WS2 Nanolayers