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

SF is a common insulating medium of gas-insulated switchgear (GIS). However, it is inevitable that SF 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.

Zr-Doped h-BN Monolayer: A High-Sensitivity Atmospheric Pollutant-Monitoring Sensor.

In the post-epidemic era, industrial production has gradually recovered, and the attendant air pollution problem has attracted much attention. In this study, the Zr-doped h-BN monolayer (Zr-BN) is proposed as a new gas sensor for air pollution. Based on density functional theory (DFT), we calculated and compared the adsorption energies (Eads), geometric parameters, the shortest distance between gas and substrate (dsub/gas), density of states (DOS), electron localization function (ELF), charge density difference (CDD), band structure, band gap energy change rate (ΔEg), and sensitivity (S) of Zr-BN adsorption systems (SO2F2, SOF2, SO2, NO, and CO2 adsorption systems).

First-Principle Study of Rh-Doped Nitrogen Vacancy Boron Nitride Monolayer for Scavenging and Detecting SF Decomposition Products.

The scavenging and detection of sulfur hexafluoride (SF) decomposition products (SO, HS, SOF, SOF) critically matters to the stable and safe operation of gas-insulated switchgear (GIS) equipment. In this paper, the Rh-doped nitrogen vacancy boron nitride monolayer (Rh-VNBN) is proposed as a gas scavenger and sensor for the above products. The computational processes are applied to investigate the configurations, adsorption and sensing processes, and electronic properties in the gas/Rh-VNBN systems based on the first-principle calculations.