Gas-Sensing Property of TM-MoTe(2) Monolayer towards SO(2), SOF(2), and HF Gases

Detecting the characteristic decomposition products (SO(2), SOF(2), and HF) of SF(6) is an effective way to diagnose the electric discharge in SF(6)-insulated equipment. Based on first-principles calculations, Au, Ag, and Cu were chosen as the surface modification transition metal to improve the adsorption and gas-sensing properties of MoTe(2) monolayer towards SO(2), SOF(2), and HF gases. The results show that Au, Ag, and Cu atoms tend to be trapped by T(H) sites on the MoTe(2) monolayer, and the binding strength increases in the order of Ag < Au < Cu. In gas adsorption, the moderate adsorption energy provides the basis that the TM-MoTe(2) monolayer can be used as gas-sensing material for SO(2), SOF(2), and HF. The conductivity of the adsorption system changes significantly. The conductivity decreases upon gases adsorption on TM-MoTe(2) monolayer, except the conductivity of Ag-MoTe(2) monolayer increases after interacting with SOF(2) gas.