Boosting the adsorption and sensing performance of MoS₂ for SF₆ decomposition gases by non-metal atom doping:a DFT study.

ABSTRACT: In electrical power systems, SF₆ in Gas Insulated Switchgear (GIS) decomposes under partial discharge, yielding toxic products such as H₂S, SO₂, SOF₂, SO₂F₂. Molybdenum disulfide (MoS₂), a promising two-dimensional material, exhibits potential in gas sensing but its pristine form suffers from weak adsorption capacity for gas molecules. Herein, we carry out a systematic exploration of the gas-sensing capabilities of eight non-metal (NM)-doped MoS₂ (NM@MoS₂) materials toward SF₆ decomposition gases by leveraging first-principles calculations. The results reveal that all NM@MoS₂ substrates exhibit thermodynamic stability with negative binding energies ranging from -0.84 to

SUBMITTER: Tursun M 

PROVIDER: S-EPMC12800929 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature