Abstract
The scavenging and detection of sulfur hexafluoride (SF6) decomposition products (SO2, H2S, SO2F2, SOF2) 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. The binding energy (Eb) of the Rh-VNBN reaches −8.437 eV, while the adsorption energy (Ead) and band gap (BG) indicate that Rh-VNBN exhibits outstanding adsorption and sensing capabilities. The density of state (DOS) analysis further explains the mechanisms of adsorption and sensing, demonstrating the potential use of Rh-VNBN in sensors and scavengers of SF6 decomposition products. This study is meaningful as it explores new gas scavengers and sensors of SF6 decomposition products to allow the operational status assessment of GIS equipment.
Highlights
Shakeel Akram and Yiyi ZhangSulfur hexafluoride (SF6 ) is extensively applied in gas-insulated switchgear (GIS)equipment because of its good thermal conductivity, high dielectric strength, ideal arcextinguishing properties, and chemical inertness [1,2,3]
The Rh 4d orbital is strongly hybridized with frontier atom orbitals of SO2, H2S, and SOF2 gas molecules, demonstrating that the bonding force between Rh-doped nitrogen vacancy boron nitride monolayer (Rh-vacancy BN monolayer (VNBN)) and these three gases is strong
Rh-VNBN is proposed for the scavenging and detection of SF6-decomposed products
Summary
Sulfur hexafluoride (SF6 ) is extensively applied in gas-insulated switchgear (GIS). equipment because of its good thermal conductivity, high dielectric strength, ideal arcextinguishing properties, and chemical inertness [1,2,3]. The formed electronic variation regions between the defect and pristine material have significant impacts on the electronic and chemical properties of 2D nanomaterials [36,37,38]. 2 F2 , tronic properties of these gas/Rh-VNBN adsorption systems are investigated On this baand SOF2 are calculated and analyzed. The adsorption energy (Ead ), band gap (BG), VNBN, which properties features promising applicability for the scavenging detection of SF and electronic of these gas/Rh-VNBN adsorption systemsand are investigated. GIS equipment safe and and stable during operathis basis, this products, computational study first presents a gas scavenger sensor based on tion. Rh-VNBN, which features promising applicability for the scavenging and detection of SF6 decomposition products, thereby keeping GIS equipment safe and stable during operation
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