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Abstract 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,… Click to show full abstract
Abstract 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
Keywords:
gas;
wsse monolayer;
transition metal;
monolayer;
janus wsse
Journal Title: Applied Surface Science
Year Published: 2021
Link to full text (if available)
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Journal Title: Applied Surface Science
Year Published: 2021
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!