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

From first-principles calculations, the transition-metal (TM) atom (Fe, Co and Ni) adsorbed Janus MoSSe monolayer, toxic gas molecules (CO, NH 3 and H 2 S) adsorbed on the Ni-MoSSe monolayer and CO catalytic oxidation on the Fe-MoSSe monolayer are systematically investigated. An increasing order (Fe...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-05, Vol.23 (18), p.114-1114
Hauptverfasser:	Guo, Jia-Xing, Wu, Shao-Yi, Zhong, Si-Ying, Zhang, Gao-Jun, Yu, Xing-Yuan, Wu, Li-Na
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Ammonia Carbon dioxide Carbon monoxide Catalytic oxidation Cobalt Electronic structure First principles Gas sensors Hydrogen sulfide Iron Molecular structure Monolayers Nickel Oxidation Transition metals
Online-Zugang:	Volltext
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