1. College of Engineering and technology Southwest University Chongqing 400700 China; 2. School of Electrical and electronic Engineering Hubei University of technology Wuhan 430068 China
Abstract：The SO2 component produced during GIS discharge is closely related to the type and severity of discharge fault. The research on SO2 gas sensor with excellent gas sensing response ability can provide a detection basis for online monitoring GIS discharge fault. In this paper, based on density functional theory (DFT) first-principles calculation, the doping structure of different amounts of TiO2 doping on graphene surface is optimized to obtain the optimal doping structure. Secondly, SO2 gas molecules are close to the intrinsic graphene in different approaching orientations, and the adsorption structure, adsorption energy, and charge transfer of SO2 gas molecules on the surface of TiO2 graphene were calculated. Finally, the interaction mechanism between SO2 and TiO2 graphene structure was obtained by analyzing the density of states (DOS) and partial density of states (PDOS). It is found that the two TiO2 modification shows the optimal doping structure, which shows good adsorption performance for one or more SO2 molecules, and it is chemisorption. Therefore, TiO2-doped graphene gas sensor has a good application prospect in GIS discharge decomposition component detection and insulation diagnosis.
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2021, Vol. 36 
