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Adsorption behaviors and gas-sensing properties of Ag n (n = 1–3)-MoSSe for gases (C 2 H 2 , C 2 H 4 , CO) in oil-filled electrical equipment

Chemical Physics Letters, ISSN: 0009-2614, Vol: 858, Page: 141746
2025
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Article Description

This paper deeply investigates the adsorption behavior, electronic properties, and gas-sensitive properties of characteristic gases on Ag n (n = 1–3)-MoSSe in ultra-high voltage oil-filled equipment using density functional theory. It reveals that Ag clusters enhance MoSSe monolayers’ adsorption capacity for gases like C 2 H 2, C 2 H 4, and CO, promoting charge transfer and orbital hybridization, transitioning from physisorption to chemisorption. Ag 2 -MoSSe and Ag 3 -MoSSe monolayers exhibit excellent sensitivity and desorption characteristics towards these gases, with Ag 3 -MoSSe showing promise for rapid CO detection at room temperature. This study provides a theoretical basis for resistive semiconductor sensors’ application in explosion-proof calibration and testing of ultra-high voltage oil-filled equipment.

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