First-principles Study of SF6 Decomposed Gas Adsorption and Sensing on Pt and N Co-doped Graphene

The detection of SF 6 insulation gas decomposition components in gas-insulated switchgear (GIS) is essential for assessing the GIS operating status and ensuring equipment safety.In this study, we explored the adsorption of SF 6 major decomposition products (SO 2 , SOF 2 , and SO 2 F 2 ) on Pt and N co-doped graphene (PtN 3 -GN) using density functional theory (DFT) calculations.The adsorption structure, energy, and charge transfer of the three adsorbed gases on the PtN 3 -GN surface were investigated.Gas adsorption results showed that PtN 3 -GN has a high adsorption capacity for these gas molecules, and adsorption energies are -2.55,-2.54, and -3.54 eV, respectively.To explore the interaction mechanism between gas molecules and the PtN 3 -GN structure, the total and partial densities of states of the system before and after gas adsorption were compared and analyzed.PtN 3 -GN strongly interacts with gas molecules, leading to high orbital hybridization between the Pt dopant and gas molecules.PtN 3 -GN has good adsorption performance for gas molecules and has good application prospects in GIS decomposition component detection and fault diagnosis.