Theoretical study of the adsorption properties of transition metal atom-doped monolayer GeSe materials for SF6 decomposition components

The insulating gas SF6 will decompose and generate a series of by-products under fault conditions, affecting the power equipment's stable operation. In this paper, the adsorption characteristics of the two-dimensional material GeSe and doped with transition metal(TM) on SF6 decomposition gases...

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Bibliographic Details
Published in:Materials today communications 2024-08, Vol.40, p.109561, Article 109561
Main Authors: Tan, Xiangyu, Na, Zhimin, Zhuo, Ran, Zhou, Fangrong, Wang, Dibo, Zhu, Longchang, Zhang, Yifan
Format: Article
Language:English
Subjects:
Adsorption properties
GeSe
SF6 decomposition monitoring
TM atoms
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Summary:The insulating gas SF6 will decompose and generate a series of by-products under fault conditions, affecting the power equipment's stable operation. In this paper, the adsorption characteristics of the two-dimensional material GeSe and doped with transition metal(TM) on SF6 decomposition gases HF, CS2, and SO2F2, including adsorption energy, charge transfer, density of states, and differential charge density, are investigated based on the First-principles, and their potentials to be used as a gas-sensitive material for monitoring SF6 decomposition are analyzed based on theoretical response heights and recovery times. The results show that the doping of TM atoms enhances the adsorption capacity of GeSe materials for SF6 decomposition components, in which Co-GeSe materials can be used to monitor the production of CS2 gas molecules. In contrast, Mn-GeSe materials have a promising prospect as adsorbents for SO2F2.
ISSN:2352-4928
2352-4928
DOI:10.1016/j.mtcomm.2024.109561