H2S and SO2 adsorption on Pt-MoS2 adsorbent for partial discharge elimination: A DFT study

SF6 inevitably decomposes to various decomposition products under partial discharge in SF6-insulated equipment. Therefore, in order to ensure the running stability of the equipment, Pt-MoS2 monolayer adsorbent material was proposed to remove the main decomposition products: H2S and SO2, based on the...

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Bibliographic Details
Published in:Results in physics 2019-03, Vol.12, p.107-112
Main Authors: Qian, Hai, Lu, Wenhao, Wei, Xiaoxing, Chen, Wei, Deng, Jun
Format: Article
Language:English
Subjects:
Adsorption
DFT calculations
MoS2 monolayer
Pt doping
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Summary:SF6 inevitably decomposes to various decomposition products under partial discharge in SF6-insulated equipment. Therefore, in order to ensure the running stability of the equipment, Pt-MoS2 monolayer adsorbent material was proposed to remove the main decomposition products: H2S and SO2, based on the density functional theory (DFT) calculation. The adsorption energy, charge transfer and structural parameters, density of states, and electron density difference were calculated to find the most stable adsorption structure and analyze the interaction mechanism of Pt-MoS2 monolayer to SO2 and H2S. It was found that Pt-MoS2 monolayer shows strong interaction to H2S and SO2 due the strong chemical activity of doped Pt atom. This study provides a theoretical basis to prepare Pt-MoS2 adsorbents for the SF6 decomposition components removal.
ISSN:2211-3797
2211-3797
DOI:10.1016/j.rinp.2018.11.035