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Abstract:
The detection of the identities and concentrations of sulfur hexafluoride, SF6, decomposition products is important for evaluating the conditions of SF6-gas-insulated equipment. This study is a preliminary test of the use of cassiterite (110) for detecting SF6 and SF6 decomposition gases, including HF, H2S, SO2, SOF2, SO2F2, CF4, CO, and CO2. First-principles calculations were adopted to investigate the adsorption mechanism of SF6 decomposition gases on a cassiterite (110) surface, using adsorption energy, geometrical structure, frontier molecular orbitals, electron density, density of states, potential energy, and work functions. We found that the adsorption of H2S made a noticeable change in the electronic properties of the (110) surface. The adsorption of SO2 strongly influenced the charge distribution of the cassiterite (110) surface and made the greatest decrease in the work function of the nine gas molecules tested. Conversely, changes in the cassiterite's electronic properties induced by other gases, especially SF6, were slight. Therefore, cassiterite could be a promising candidate for highly selective and sensitive sensors to detect H2S and SO2 in SF6 decomposition gases. (C) 2018 Elsevier B.V. All rights reserved.
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MATERIALS CHEMISTRY AND PHYSICS
ISSN: 0254-0584
Year: 2018
Volume: 212
Page: 453-460
2 . 7 8 1
JCR@2018
4 . 0 9 4
JCR@2020
ESI Discipline: MATERIALS SCIENCE;
ESI HC Threshold:182
JCR Journal Grade:2
CAS Journal Grade:3
Cited Count:
WoS CC Cited Count: 23
SCOPUS Cited Count: 32
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 7
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