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, NH₃ and H₂S) adsorbed on Ni-MoSSe monolayers and CO catalytic oxidation on Fe-MoSSe monolayers are systematically investigated.