Cu-Doped MoSe2 Monolayer: A Novel Candidate for Dissolved Gas Analysis in Transformer Oil

摘要

Dissolved gas analysis (DGA) in transformer oil is a workable approach to evaluate the operation status of transformers. In this paper, we proposed a Cu-doped Se-vacancy MoSe_(2) (Cu-MoSe_(2)) monolayer as a promising sensing material for DGA based on first-principles theory. Three typical dissolved gases, namely, CO, C_(2)H_(2), and C_(2)H_(4), are the representatives to investigate the potential of the Cu-MoSe_(2) monolayer upon their adsorption and sensing. Our results indicate that Cu-doping causes strong n-doping for the Se-vacancy MoSe_(2) monolayer, and the Cu-MoSe_(2) monolayer exhibits strong chemisorption the three gas molecules, with a calculated adsorption energy (E _(ad)) of ?1.25, ?1.06, and ?1.16 eV, respectively. Such strong interactions lead to remarkable changes in the electrical conductivity of the Cu-MoSe_(2) monolayer, allowing its application as a resistance-type sensor. Besides, work function (WF) analysis shows the potential of the Cu-MoSe_(2) monolayer as a promising field-effect transistor sensor as well. It is our hope that our work can stimulate more leading-edge studies of the TM-doped MoSe_(2) monolayer for sensing applications in many fields.