As-Doped h-BN Monolayer: A High Sensitivity and Short Recovery Time SF(6) Decomposition Gas Sensor

SF(6) is a common insulating medium of gas-insulated switchgear (GIS). However, it is inevitable that SF(6) will be decomposed due to partial discharge (PD) in GIS, which will cause hidden dangers to the safe and stable operation of equipment. Based on the DFT method, the two-dimensional nano-composite As-doped h-BN (As-BN) monolayer was proposed. By modeling and calculating, the ability of an As-BN monolayer as a specific sensor for SO(2)F(2) (compared with an H(2)O adsorption system and CO(2) adsorption system) was evaluated by parameters such as the binding energy (E(b)), adsorption energy (E(ads)), transfer charge (ΔQ), geometric structure parameters, the total density of states (TDOS), band structure, charge difference density (CDD), electron localization function (ELF), sensitivity (S), and recovery time (τ). The results showed that an As-BN monolayer showed strong adsorption specificity, high sensitivity, and short recovery time for SO(2)F(2) gas molecules. Therefore, the As-BN monolayer sensor has great application potential in the detection of SF(6) decomposition gases.