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.