Density Functional Theory Study of Adsorption of Dissolved Gas in Transformer Oil on a Metal (Ag, Pd, and Pt)-Doped NbSe₂ Monolayer

Dissolved gas detection is very important for an oil-immersed transformer fault. We examined the adsorption characteristics and sensitivity processes of monolayer NbSe 2 doped with Ag, Pd, and Pt on five typical gases (H 2, CO, CO 2, CH 4, and C 2 H 2 ) in oil-immersed transformer using first-principles calculations. While the Pd–NbSe 2 system only has great desorption properties for H 2 at high temperature, the Ag/Pt–NbSe 2 system has outstanding adsorption and desorption possessions for H 2 at ambient and high temperature. Therefore, micro-nanomaterials prepared by Ag/Pd/Pt–NbSe 2 are expected to be used as sensors for detecting H 2 . The micro-nanomaterials prepared by NbSe 2 and Ag/Pd/Pt–NbSe 2 systems can be used for C 2 H 2 desorption at ambient temperature and high temperatures, but the desorption effect is not excellent. Micro-nanomaterials prepared by NbSe 2 and Pd/Pt–NbSe 2 have excellent adsorption and desorption performance for CH 4 and CO 2 desorption at ambient temperature and are candidates for CH 4 and CO 2 sensors. This paper systematically studies the potential application of a metal-doped monolayer NbSe 2 system in transformer oil gas dissolution and provides theoretical guidance for metal-doped NbSe 2 micro-nanomaterials for transformer oil gas detection. It is theoretically proven that the metal-doped monolayer NbSe 2 micro-nanomaterials provides an excellent scheme for detecting dissolved gas in transformer oil.