Journal
MOLECULAR PHYSICS
Volume 119, Issue 11, Pages -Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2021.1919774
Keywords
Rh-PtS2 monolayer; SF6 insulation devices; SOF2 sensing; first-principles theory
Funding
- Natural Science Foundation of Chongqing [cstc2020jcyj-msxmX0500]
- Opening Project of Key Laboratory of Testing Technology for Manufacturing Process, Southwest University of Science and Technology [20kfzk02]
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In this study, Rh-doped S-vacancy PtS2 monolayer is proposed as a novel sensing material for SOF2 detection to evaluate the operation status of SF6 insulation devices. The material shows adjustable and admirable sensing response.
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 -4.65eV. The Rh-PtS2 monolayer behaves as chemisorption upon SOF2 adsorption with adsorption energy (E-ad) of -1.08eV, and the presence of humidity would weaken such adsorption performance, reducing the E-ad to -0.82eV 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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