Adsorption of gas molecules (NH₃, C₂H₆O, C₃H₆O, CO, H₂S) on a noble metal (Ag, Au, Pt, Pd, Ru)-doped MoSe₂ monolayer: a first-principles study

In this paper, the effects of five noble metal (Au, Pt, Pd, Ag, Ru)-doped MoSe2 on improving the gas sensing performance were predicted through density functional theory (DFT) based on first-principles.