Different Doping of VSe Monolayers as Adsorbent and Gas Sensing Material for Scavenging and Detecting SF Decomposed Species.

The application of intrinsic and transition metals (TM)-doped VSe monolayers for the detection of faulty gases in SF electrical insulated equipment is investigated based on first-principles calculations. The electron density difference, density of state, and adsorption energy are analyzed to further clarify the reaction mechanism. The results show that the intrinsic VSe monolayer has weak adsorption performance for SO and SOF molecules, but the adsorption properties of the system are significantly improved after doping TM atoms. Among them, the TM-doped VSe monolayer has better sensing performance for SO than for SOF molecules. Furthermore, the modulating effect of biaxial strain on the gas-sensitive properties of TM-doped VSe system is also analyzed. Finally, the recovery time of the gas molecules on the solid adsorbent is evaluated. The results confirm that the TM-doped VSe monolayer can be used as a novel sensing material or scavenger to ensure the normal operation of SF electrical insulated equipment. This will provide a prospective insight for experimenters to implement VSe-based sensing materials or scavengers.