Abstract

In this paper, Rh-doped S-vacancy PtS2 (Rh-PtS2) monolayer is proposed as a novel sensing material for SOF2 detection in order to evaluate the operation status of SF6 insulation devices. The Rh dopant is stably anchored on the S-vacancy of the PtS2 surface with the binding force (E b) of −4.65 eV. The Rh-PtS2 monolayer behaves as chemisorption upon SOF2 adsorption with adsorption energy (E ad) of −1.08 eV, and the presence of humidity would weaken such adsorption performance, reducing the E ad to −0.82 eV instead. The band structure (BS) analysis implies that the existence of humidity causes cross-sensitivity for the Rh-PtS2 monolayer as the resistance-type sensor, while the optical property analysis indicates the little impact of humidity for that as an optical nano-sensor upon SOF2 detection. Besides, the charge-transfer (Q T) in SOF2 adsorption is adjustable via modulating the applied electric strength, giving rise to the tunable and admirable sensing response upon SOF2 sensing with a Rh-PtS2 monolayer based field-effect transistor sensor. Our calculations are meaningful to explore a novel sensing material for SOF2 detection in order to realise the operation status evaluation in SF6 insulation devices.

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