Janus WSSe monolayer adsorbed with transition-metal atoms (Fe, Co and Ni): excellent performance for gas sensing and CO catalytic oxidation

Autor:	Si-Ying Zhong, Gao-Qiang Shen, Xing-Yuan Yu, Gao-Jun Zhang, Shao-Yi Wu, Jia-Xing Guo
Rok vydání:	2021
Předmět:	Materials science Band gap General Physics and Astronomy Surfaces and Interfaces General Chemistry Condensed Matter Physics Surfaces Coatings and Films Catalysis Adsorption Transition metal atoms Chemical engineering Catalytic oxidation Monolayer Molecule Janus
Zdroj:	Applied Surface Science. 565:150558
ISSN:	0169-4332
DOI:	10.1016/j.apsusc.2021.150558
Popis:	The adsorption behaviors of Janus WSSe monolayer for transition-metal (TM) Fe, Co and Ni atoms, gas sensing mechanism of Ni-WSSe monolayer for harmful gas molecules CO, NH3 and H2S, and catalytic performance of Fe-WSSe monolayer for CO oxidation are explored by the first-principles methods. The adsorption strength, stability and band gap exhibit the increasing rule with TM atomic order, i.e., Fe-WSSe
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c3ed3865815faedb8d8f655e87351456 https://doi.org/10.1016/j.apsusc.2021.150558 Zobrazit plný text záznamu Full Text from ScienceDirect