This study aims to investigate SF 6 decomposition gases, specifically H 2 S, SO 2 , SOF 2 , and SO 2 F 2 , as a means of diagnosing faults in GIS. Using first-principles density functional theory (DFT), simulations were conducted on Zr- and In-modified WTe 2 from several perspectives, including adsorption energy, charge transfer, adsorption distance, density of states, differential charge density, and desorption times at different temperatures. The results demonstrate that the modification of WTe 2 with Zr and In atoms is spontaneous. The prist...
