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 (Δ Q ), 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.