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

The sensing performances of SF
₆
decompositions, including HF, SOF
₂
, SO
₂
, SO
₂
F
₂
, and H
₂
S, 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 SF
₆
decomposition components, especially for SO
₂
and SOF
₂
, exhibiting favorable adsorption strength and apparent charge transfers. Besides, the calculated density of states (DOS) further reveals the electronic properties are obviously changed after SO
₂
and SOF
₂
adsorption. These results signify that tellurene-based gas sensor is a potential candidate for detecting SF
₆
decompositions in high-voltage insulation equipment.