基于第一性原理的SnO2(101)表面对SF 6分解气体气敏性能研究

Yubin Xu; Weijuan Li; Dawei Wang; Xiaohua Wang; Aijun Yang; Mingzhe Rong

doi:10.13296/j.1001-1609.hva.2019.05.002

基于第一性原理的SnO₂(101)表面对SF₆分解气体气敏性能研究

Translated title of the contribution: Research on the Gas-sensing Properties of SF₆ Decomposition Gas on SnO₂ (101)Surface Based on the First Principle

Yubin Xu
, Weijuan Li
, Dawei Wang
, Xiaohua Wang
, Aijun Yang
, Mingzhe Rong

School of Electrical Engineering

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The early insulation failure of SF₆ gas insulation equipment can be diagnosed by detecting the typical decomposition gas of SF₆. Furthermore,SnO₂ is a widely used gas sensitive material. Therefore,in this paper,the adsorption of SF 6 decomposition gas on the surface of SnO₂ (101)is calculated and analyzed. The firstprinciple calculation approach is proposed to calculate specific characteristic parameters,including: adsorption energy,adsorption configurations,the charge transfer,differential charge density,density of states,potentials and work function. According to the analysis of the calculation results,SnO₂ (101)has good selectivity and sensitivity to H₆ S and SO₂,showing that SnO₂ (101)has the potential to be a kind of gas sensor material for detecting the decomposition gas of SF₆.

Translated title of the contribution	Research on the Gas-sensing Properties of SF₆ Decomposition Gas on SnO₂ (101)Surface Based on the First Principle
Original language	Chinese (Traditional)
Pages (from-to)	10-16
Number of pages	7
Journal	Gaoya Dianqi/High Voltage Apparatus
Volume	55
Issue number	5
DOIs	https://doi.org/10.13296/j.1001-1609.hva.2019.05.002
State	Published - 16 May 2019

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title = "基于第一性原理的SnO2(101)表面对SF 6分解气体气敏性能研究",

abstract = "The early insulation failure of SF6 gas insulation equipment can be diagnosed by detecting the typical decomposition gas of SF6. Furthermore,SnO2 is a widely used gas sensitive material. Therefore,in this paper,the adsorption of SF 6 decomposition gas on the surface of SnO2 (101)is calculated and analyzed. The firstprinciple calculation approach is proposed to calculate specific characteristic parameters,including: adsorption energy,adsorption configurations,the charge transfer,differential charge density,density of states,potentials and work function. According to the analysis of the calculation results,SnO2 (101)has good selectivity and sensitivity to H6 S and SO2,showing that SnO2 (101)has the potential to be a kind of gas sensor material for detecting the decomposition gas of SF6.",

keywords = "First principle, Gas sensor, SFdecomposition gas, SnO(101)",

author = "Yubin Xu and Weijuan Li and Dawei Wang and Xiaohua Wang and Aijun Yang and Mingzhe Rong",

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doi = "10.13296/j.1001-1609.hva.2019.05.002",

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T1 - 基于第一性原理的SnO2(101)表面对SF 6分解气体气敏性能研究

AU - Xu, Yubin

AU - Li, Weijuan

AU - Wang, Dawei

AU - Wang, Xiaohua

AU - Yang, Aijun

AU - Rong, Mingzhe

PY - 2019/5/16

Y1 - 2019/5/16

N2 - The early insulation failure of SF6 gas insulation equipment can be diagnosed by detecting the typical decomposition gas of SF6. Furthermore,SnO2 is a widely used gas sensitive material. Therefore,in this paper,the adsorption of SF 6 decomposition gas on the surface of SnO2 (101)is calculated and analyzed. The firstprinciple calculation approach is proposed to calculate specific characteristic parameters,including: adsorption energy,adsorption configurations,the charge transfer,differential charge density,density of states,potentials and work function. According to the analysis of the calculation results,SnO2 (101)has good selectivity and sensitivity to H6 S and SO2,showing that SnO2 (101)has the potential to be a kind of gas sensor material for detecting the decomposition gas of SF6.

AB - The early insulation failure of SF6 gas insulation equipment can be diagnosed by detecting the typical decomposition gas of SF6. Furthermore,SnO2 is a widely used gas sensitive material. Therefore,in this paper,the adsorption of SF 6 decomposition gas on the surface of SnO2 (101)is calculated and analyzed. The firstprinciple calculation approach is proposed to calculate specific characteristic parameters,including: adsorption energy,adsorption configurations,the charge transfer,differential charge density,density of states,potentials and work function. According to the analysis of the calculation results,SnO2 (101)has good selectivity and sensitivity to H6 S and SO2,showing that SnO2 (101)has the potential to be a kind of gas sensor material for detecting the decomposition gas of SF6.

KW - First principle

KW - Gas sensor

KW - SFdecomposition gas

KW - SnO(101)

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DO - 10.13296/j.1001-1609.hva.2019.05.002

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基于第一性原理的SnO₂(101)表面对SF₆分解气体气敏性能研究

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