The adsorption and sensing properties of pristine α-In 2 Se 3 and Pt doped In 2 Se 3 monolayers for five thermal runaway gases (H 2 , CO, CO 2 , CH 4 , C 2 H 4 ) have been investigated using density functional theory (DFT). The adsorption energy, charge transfer ( Q T ), energy density of states, work function, recovery time and sensing response were compared to elucidate the gas adsorption behavior and electronic properties. The results indicate that, when Pt replaces doping the In 2 Se 3 (↑) surface, the phase state of α-In 2 Se 3 changes,...
