Effect of Nickel Doping on Adsorption of SF6 Decomposition Products over MoS2 Surface

To ensure the operating stability of SF 6 -insulated equipment, an Ni-MoS 2 monolayer has been used as an adsorbent to remove the characteristic decomposition products of SF 6 , viz. SOF 2 and SO 2 F 2 gases, from SF 6 -insulated equipment. All of the calculations are carried out in the density functional theory (DFT) framework. Several adsorption configurations are built and optimized to determine the most stable adsorption structure. In addition, the adsorption geometry, adsorption energy, density of states (DOS), charge transfer, transition states, and electron density difference are calculated to analyze the adsorption properties. The results show that the Ni-MoS 2 monolayer exhibits excellent adsorption properties towards both target gases. SOF 2 adsorbs on the Ni-MoS 2 monolayer by nondissociative chemisorption, while SO 2 F 2 adsorption occurs via dissociative chemisorption. Due to the strong chemical activity of Ni, it significantly increases the electrical conductivity and enhances the adsorption properties of MoS 2 . The Ni-MoS 2 monolayer shows excellent sensitivity to SOF 2 and SO 2 F 2 , reflected in decreases of the electrical conductivity after adsorption of SOF 2 and SO 2 F 2 . The Ni-MoS 2 monolayer could thus be a promising material for removal of these characteristic SF 6 decomposition products under partial discharge conditions. The results of these calculations provide a new approach to ensure the operational stability of SF 6 -insulated gas-insulated switchgear (GIS) equipment.