Adsorption behaviors and gas-sensing properties of Agn(n = 1–3)-MoSSe for gases (C2H2, C2H4, CO) in oil-filled electrical equipment

[Display omitted] •i. The introduction of Ag clusters enhanced the adsorption capacity of the MoSSe monolayer for C2H2, C2H4 and CO gases.•ii. The Ag2-MoSSe monolayer exhibited a highly sensitive detection performance for C2H4 gas at low temperatures.•iii. Ag3-MoSSe monolayers were shown to have efficient selectivity for rapid detection of CO gases at room temperature. This paper deeply investigates the adsorption behavior, electronic properties, and gas-sensitive properties of characteristic gases on Agn(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 C2H2, C2H4, and CO, promoting charge transfer and orbital hybridization, transitioning from physisorption to chemisorption. Ag2-MoSSe and Ag3-MoSSe monolayers exhibit excellent sensitivity and desorption characteristics towards these gases, with Ag3-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.