A DFT Study of the SnO2-Doped GeSe Monolayer for Dissolved Gas Analysis in Insulating Material
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更新:2022-09-15 14:04:52
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摘要
In the post-epidemic era, the rapid recovery of industry and commerce has significantly improved the use intensity of oil-immersed transformers in various countries. In order to ensure the safe and stable operation of oil-immersed transformers, the commonly used method is to use dissolved gas analysis (DGA) in oil to monitor the decomposition gas of insulating materials in real-time, accurately, and conveniently. In this study, based on the first-principles density functional theory, we proposed a SnO2-doped GeSe monolayer gas sensor for monitoring dissolved gases ( C2H2, CH4, and H2 ) in oil. DMol3 and CASTEP modules were used to optimize the molecular structures, and the optimal structure was obtained through a large number of calculations. Then, the adsorption process was modeled and simulated according to different positions and orientations. The results show that the SnO2-doped GeSe monolayer is very effective for the detection of dissolved gases in three oils, and the gas sensing performance is C2H2 > CH4 > H2. In this study, the microscopic gas sensing mechanism and macroscopic gas sensing characteristics were clarified from the theoretical point of view, in order to provide a theoretical basis for the preparation of SnO2-doped GeSe monolayer gas sensors and provide new ideas and ways for the development of gas sensing field.
关键词
Dissolved gas analysis,Online Condition Monitoring,Fault Diagnosis,High Voltage Transformer
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