Abstract
Metal (Pd, Pt, and Ni) modified MoSe2 are proposed to diagnose the partial discharge by detecting the air decomposition products: NO, CO, and NO2 existing in the insulation equipment of high-voltage switch cabinets. Based on the first-principle calculation, the most stable structure of the metal-modified MoSe2, and optimal gas adsorption structure of gas molecules on metal-modified MoSe2 were obtained. The adsorption energy and charge transfer during the adsorption process were calculated, and the total and projected state of density and molecular orbital changes were analyzed. The results showed that all of the gas adsorptions tend to be chemical adsorption, which provides a key basis for gas detection. The calculation results and theoretical analysis in this paper can be used to design Pd, Pt, and Ni modified MoSe2 gas-sensing material to detect NO, NO2, and CO components in the insulation equipment of high-voltage switch cabinet.
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