Monolayer Tellurene-Based Gas Sensor to Detect SF₆ Decompositions: A First-Principles Study

The sensing performances of SF6decompositions, including HF, SOF2, SO2, SO2F2, and H2S, adsorption on monolayer tellurene have been investigated by means of density functional theory (DFT) calculations in this letter. The attained results show that the monolayer tellurene is preferable for SF6decomposition components, especially for SO2and SOF2, exhibiting favorable adsorption strength and apparent charge transfers. Besides, the calculated density of states (DOS) further reveals the electronic properties are obviously changed after SO2and SOF2adsorption. These results signify that tellurene-based gas sensor is a potential candidate for detecting SF6decompositions in high-voltage insulation equipment.