Sensing properties of SF6 decomposition gas sensor based on Rh doped a-AsP monolayer

COMPUTATIONAL AND THEORETICAL CHEMISTRY(2023)

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摘要
The detection of decomposition components of SF6 insulating gas in gas-insulated switchgear (GIS) is of great significance to evaluating GIS's operating state and ensuring the equipment's safety. In order to detect and diagnose the main decomposition gases SO2, SOF2, and SO(2)F2 of SF6, this work systematically analyses the intrinsic a-AsP monolayer and two Rh-modified a-AsP monolayers. Specifically, the adsorption structure, energy, charge transfer and deformed charge density, the total density of states, the partial density of states, and recovery time were discussed and calculated in detail, and the internal mechanism of the entire adsorption process was clarified. Meanwhile, the results show that Rh adsorbed on a-AsP monolayer (Rh-AsP-O) has a good adsorption effect on SO2, SOF2, and SO2F2 gases. From the sensor's perspective, the Rh-AsP-O monolayer has potential applications in the gas-sensing field of SO2, SOF2, and SO2F2.
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关键词
α-AsP,Gas adsorption,Density functional theory (DFT),SF6 decomposition products,Gas sensor
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