Adsorption and gas sensing properties of Cun, Agn and Rhn (n=1–3) clusters doped with WTe2 for transformer winding deformation fault gases

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: Cu_n, Ag_n, and Rh_n (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.