As-Doped h-BN Monolayer: A High Sensitivity and Short Recovery Time SF<sub>6</sub> Decomposition Gas Sensor

oleh: Yunfeng Long, Sheng-Yuan Xia, Liang-Yan Guo, Yaxiong Tan, Zhengyong Huang

Format: Article
Diterbitkan: MDPI AG 2022-06-01

Deskripsi

SF<sub>6</sub> is a common insulating medium of gas-insulated switchgear (GIS). However, it is inevitable that SF<sub>6</sub> 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<sub>2</sub>F<sub>2</sub> (compared with an H<sub>2</sub>O adsorption system and CO<sub>2</sub> adsorption system) was evaluated by parameters such as the binding energy (<i>E</i><sub>b</sub>), adsorption energy (<i>E</i><sub>ads</sub>), transfer charge (Δ<i>Q</i>), geometric structure parameters, the total density of states (TDOS), band structure, charge difference density (CDD), electron localization function (ELF), sensitivity (<i>S</i>), and recovery time (<i>τ</i>). The results showed that an As-BN monolayer showed strong adsorption specificity, high sensitivity, and short recovery time for SO<sub>2</sub>F<sub>2</sub> gas molecules. Therefore, the As-BN monolayer sensor has great application potential in the detection of SF<sub>6</sub> decomposition gases.