https://doi.org/10.1140/epjb/s10051-024-00755-8
Regular Article - Solid State and Materials
Theoretical investigation of the sensing capabilities of intrinsic and Fe-modified net-Y on SF
decomposition products
1
Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter, Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, School of Physics, South China Normal University, 510006, Guangzhou, China
2
Guangdong-Hong Kong Joint Laboratory of Quantum Matter, Frontier Research Institute for Physics, South China Normal University, 510006, Guangzhou, China
3
Institute of Modern Physics, Chinese Academy of Sciences, 730000, Lanzhou, China
4
School of Nuclear Science and Technology, University of Chinese Academy of Sciences, 100049, Beijing, China
Received:
12
June
2024
Accepted:
17
July
2024
Published online:
29
July
2024
Detection of SF decomposition gases is crucial in power equipment maintenance. This paper investigates the adsorption behavior of SO
and HS on the intrinsic and Fe-modified net-Y surfaces using density functional theory. The adsorption parameters and electronic attributes of diverse configurations have been scrutinized. Calculations indicate that net-Y exhibits limited adsorption capacity for both gases. The doped substrate exhibits a localized magnetic moment around the Fe atom, indicating the possible occurrence of the Kondo effect in the system. The substrate chemisorbs with the target gas through the Fe 3d orbitals. Additionally, after the adsorption of gases, the system undergoes a transition from metallic to semiconductor properties, accompanied by a near-complete disappearance of magnetism. Specifically, in two adsorption configurations, the systems manifest the characteristics of half-semiconductor and half-metal, respectively. Our study provides evidence that the incorporation of Fe-modified net-Y shows potential as a disposable device for detecting and purifying the decomposition products of SF, presenting a prospective application for net-Y in spintronic devices.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2024. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
