As-Doped h-BN Monolayer: A High Sensitivity and Short Recovery Time SF₆ Decomposition Gas Sensor

SF₆ is a common insulating medium of gas-insulated switchgear (GIS). However, it is inevitable that SF₆ 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 SO₂F₂ (compared with an H₂O adsorption system and CO₂ 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 SO₂F₂ gas molecules. Therefore, the As-BN monolayer sensor has great application potential in the detection of SF₆ decomposition gases.