Air discharge characteristic gas detection is considered as one of the most reliable methods in fault diagnosis of air switchgear. Based on the first-principles of density functional theory, the adsorption and sensing properties of transition metal (Cr) modified MoS2(001) monolayer on three air discharge characteristic gases (CO, NO, and NO2) are analyzed. First, the Cr-doped MoS2(001) monolayer model is obtained by modeling and analyzing different doping sites, and the subsequent density functional theory (DFT) calculation is done. Based on this model, many kinds of adsorption structures were...
