A DFT Calculation of Fluoride-Doped TiO₂ Nanotubes for Detecting SF₆ Decomposition Components

Gas insulated switchgear (GIS) plays an important role in the transmission and distribution of electric energy. Detecting and analyzing the decomposed components of SF₆ is one of the important methods to realize the on-line monitoring of GIS equipment. In this paper, considering the performance limi...

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Bibliographic Details
Published in:Sensors (Basel, Switzerland) Switzerland), 2017-08, Vol.17 (8), p.1907
Main Authors: Zhang, Xiaoxing, Zhang, Jun, Dong, Xingchen, Cui, Hao
Format: Article
Language:English
Subjects:
Adsorption
Anatase
Crystals
Decomposition
Electric power distribution
Energy transmission
first-principle simulation
Fluorides
Fluorine
fluorine-doped TiO2
SF6 decomposition component
Switchgear
Titanium dioxide
Titanium oxides
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Summary:Gas insulated switchgear (GIS) plays an important role in the transmission and distribution of electric energy. Detecting and analyzing the decomposed components of SF₆ is one of the important methods to realize the on-line monitoring of GIS equipment. In this paper, considering the performance limits of intrinsic TiO₂ nanotube gas sensor, the adsorption process of H₂S, SO₂, SOF₂ and SO₂F₂ on fluoride-doped TiO₂ crystal plane was simulated by the first-principle method. The adsorption mechanism of these SF₆ decomposition components on fluorine-doped TiO₂ crystal plane was analyzed from a micro perspective. Calculation results indicate that the order of adsorption effect of four SF₆ decomposition components on fluoride-doped TiO₂ crystal plane is H₂S > SO₂ > SOF₂ > SO₂F₂. Compared with the adsorption results of intrinsic anatase TiO₂ (101) perfect crystal plane, fluorine doping can obviously enhance the adsorption ability of TiO₂ (101) crystal plane. Fluorine-doped TiO₂ can effectively distinguish and detect the SF₆ decomposition components based on theoretical analysis.
ISSN:1424-8220
1424-8220
DOI:10.3390/s17081907