Abstract
In order to solve the problem that the initial WTe2 has poor adsorption effect on transformer winding deformation fault gas, this paper uses density functional theory (DFT) to study the adsorption behavior of three target gases (CO, C2H2 and CO2) on the surface of WTe2 substrate doped with three metal clusters: Cun, Agn, and Rhn (n=1-3). By analyzing the adsorption distance, adsorption energy, DCD and DOS of the three systems, the effect of metal cluster doping on the adsorption of fault gas by WTe2 was revealed. The results show that metal cluster doping can effectively improve the conductivity of WTe2 substrate and make its band structure more compact. CO and C2H2 have good adsorption characteristics in the three doping systems, while CO2 can be effectively adsorbed by Rh cluster-doped WTe2. In addition, this article also uses work function and band gap to analyze the effect of gas adsorption on substrate conductivity, and discusses the practical application prospects of the three metal cluster doping systems from the perspectives of recovery time and sensitivity, and achieved good results. This paper provides theoretical guidance for exploring the application prospects of WTe2 substrate in transformer winding deformation fault diagnosis and gas detection.
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