Different Doping of VSe 2 Monolayers as Adsorbent and Gas Sensing Material for Scavenging and Detecting SF 6 Decomposed Species.

The application of intrinsic and transition metals (TM)-doped VSe 2 monolayers for the detection of faulty gases in SF 6 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 2 monolayer has weak adsorption performance for SO 2 and SOF 2 molecules, but the adsorption properties of the system are significantly improved after doping TM atoms. Among them, the TM-doped VSe 2 monolayer has better sensing performance for SO 2 than for SOF 2 molecules. Furthermore, the modulating effect of biaxial strain on the gas-sensitive properties of TM-doped VSe 2 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 2 monolayer can be used as a novel sensing material or scavenger to ensure the normal operation of SF 6 electrical insulated equipment. This will provide a prospective insight for experimenters to implement VSe 2 -based sensing materials or scavengers.