Different Doping of VSe2 Monolayers as Adsorbent and Gas Sensing Material for Scavenging and Detecting SF6 Decomposed Species

Chencheng Hu; Long Lin; Yonghao Xu; Hualong Tao; Zhanying Zhang

doi:10.1021/acs.langmuir.2c03018

Different Doping of VSe₂ Monolayers as Adsorbent and Gas Sensing Material for Scavenging and Detecting SF₆ Decomposed Species

Langmuir. 2023 Feb 21;39(7):2618-2630. doi: 10.1021/acs.langmuir.2c03018. Epub 2023 Feb 12.

Authors

Chencheng Hu¹, Long Lin¹, Yonghao Xu², Hualong Tao³, Zhanying Zhang¹

Affiliations

¹ Henan Key Laboratory of Materials on Deep-Earth Engineering, School of Materials Science and Engineering, Henan Polytechnic University, Jiaozuo 454000, Henan, China.
² School of Physics and Electronic Information Engineering, Henan Polytechnic University, Jiaozuo 454000, Henan, China.
³ Liaoning Key Materials Laboratory for Railway, School of Materials Science and Engineering, Dalian Jiaotong University, Dalian 116028, Liaoning, China.

PMID: 36775933
DOI: 10.1021/acs.langmuir.2c03018

Abstract

The application of intrinsic and transition metals (TM)-doped VSe₂ monolayers for the detection of faulty gases in SF₆ 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 VSe₂ monolayer has weak adsorption performance for SO₂ and SOF₂ molecules, but the adsorption properties of the system are significantly improved after doping TM atoms. Among them, the TM-doped VSe₂ monolayer has better sensing performance for SO₂ than for SOF₂ molecules. Furthermore, the modulating effect of biaxial strain on the gas-sensitive properties of TM-doped VSe₂ 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 VSe₂ monolayer can be used as a novel sensing material or scavenger to ensure the normal operation of SF₆ electrical insulated equipment. This will provide a prospective insight for experimenters to implement VSe₂-based sensing materials or scavengers.