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

Abstract

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 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.