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 NbSe2 doped with Ag, Pd, and Pt on five typical gases (H2, CO, CO2, CH4, and C2H2) in oil-immersed transformer using first-principles calculations. While the Pd–NbSe2 system only has great desorption properties for H2 at high temperature, the Ag/Pt–NbSe2 system has outstanding adsorption and desorption possessions for H2 at ambient and high temperature. Therefore, micro-nanomaterials prepared by Ag/Pd/Pt–NbSe2 are expected to be used as sensors for detecting H2. The micro-nanomaterials prepared by NbSe2 and Ag/Pd/Pt–NbSe2 systems can be used for C2H2 desorption at ambient temperature and high temperatures, but the desorption effect is not excellent. Micro-nanomaterials prepared by NbSe2 and Pd/Pt–NbSe2 have excellent adsorption and desorption performance for CH4 and CO2 desorption at ambient temperature and are candidates for CH4 and CO2 sensors. This paper systematically studies the potential application of a metal-doped monolayer NbSe2 system in transformer oil gas dissolution and provides theoretical guidance for metal-doped NbSe2 micro-nanomaterials for transformer oil gas detection. It is theoretically proven that the metal-doped monolayer NbSe2 micro-nanomaterials provides an excellent scheme for detecting dissolved gas in transformer oil.