93 / 2022-03-12 16:57:12

A DFT Study of the SnO2-Doped GeSe Monolayer for Dissolved Gas Analysis in Insulating Material

Dissolved gas analysis,Online Condition Monitoring,Fault Diagnosis,High Voltage Transformer

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.