Ke Wang , Jiaxi Li , Yikun Zhao , Sirun Tan , Maoqiang Bi , Tianyan Jiang
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引用次数: 0
Abstract
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.
期刊介绍：
Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage.
Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.
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