As-Doped h-BN Monolayer: A High Sensitivity and Short Recovery Time SF(6) Decomposition Gas Sensor.
As-Doped h-BN Monolayer: A High Sensitivity and Short Recovery Time SF(6) Decomposition Gas Sensor.
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DOI：
10.3390/s22134797
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发表时间：
2022-06-24
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SF6是气体绝缘组合电器（GIS）常用的绝缘介质。但是，由于GIS中的局部放电（PD），不可避免地会分解SF6，这将对设备的安全稳定运行造成隐患。基于密度泛函理论（DFT）方法，提出了二维纳米复合As掺杂h-BN（As-BN）单层膜。通过建模和计算，研究了As-BN单分子膜作为SO_2F_2特异性传感器的能力，通过结合能（Eb）、吸附能（埃兹）、转移电荷（ΔQ）、几何结构参数、总态密度（TDOS）、能带结构、电荷差密度（CDD）、电子定位函数（ELF）、灵敏度（S）和恢复时间（τ）。结果表明，As-BN单分子膜对SO2 F2气体分子具有较强的吸附特异性、较高的灵敏度和较短的回收时间。因此，As-BN单层膜传感器在SF6分解气体检测中具有很大的应用潜力。
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 (Eb), adsorption energy (Eads), 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.
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