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Sensors 2016, 16(11), 1830; doi:10.3390/s16111830

Gas Sensing Analysis of Ag-Decorated Graphene for Sulfur Hexafluoride Decomposition Products Based on the Density Functional Theory

1
State Key Laboratory of Power Transmission Equipment & System Security and New Technology, Chongqing University, Chongqing 400044, China
2
School of Electrical Engineering, Wuhan University, Wuhan 430072, China
3
No. 1 Branch of Chongqing Academy of Metrology and Quality Inspection, Chongqing 402260, China
*
Author to whom correspondence should be addressed.
Academic Editor: Ki-Hyun Kim
Received: 16 August 2016 / Revised: 16 October 2016 / Accepted: 21 October 2016 / Published: 1 November 2016
(This article belongs to the Special Issue The Use of New and/or Improved Materials for Sensing Applications)
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Abstract

Detection of decomposition products of sulfur hexafluoride (SF6) is one of the best ways to diagnose early latent insulation faults in gas-insulated equipment, and the occurrence of sudden accidents can be avoided effectively by finding early latent faults. Recently, functionalized graphene, a kind of gas sensing material, has been reported to show good application prospects in the gas sensor field. Therefore, calculations were performed to analyze the gas sensing properties of intrinsic graphene (Int-graphene) and functionalized graphene-based material, Ag-decorated graphene (Ag-graphene), for decomposition products of SF6, including SO2F2, SOF2, and SO2, based on density functional theory (DFT). We thoroughly investigated a series of parameters presenting gas-sensing properties of adsorbing process about gas molecule (SO2F2, SOF2, SO2) and double gas molecules (2SO2F2, 2SOF2, 2SO2) on Ag-graphene, including adsorption energy, net charge transfer, electronic state density, and the highest and lowest unoccupied molecular orbital. The results showed that the Ag atom significantly enhances the electrochemical reactivity of graphene, reflected in the change of conductivity during the adsorption process. SO2F2 and SO2 gas molecules on Ag-graphene presented chemisorption, and the adsorption strength was SO2F2 > SO2, while SOF2 absorption on Ag-graphene was physical adsorption. Thus, we concluded that Ag-graphene showed good selectivity and high sensitivity to SO2F2. The results can provide a helpful guide in exploring Ag-graphene material in experiments for monitoring the insulation status of SF6-insulated equipment based on detecting decomposition products of SF6. View Full-Text
Keywords: density functional theory; sulfur hexafluoride decomposition product; Ag-graphene; gas sensor density functional theory; sulfur hexafluoride decomposition product; Ag-graphene; gas sensor
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Zhang, X.; Huang, R.; Gui, Y.; Zeng, H. Gas Sensing Analysis of Ag-Decorated Graphene for Sulfur Hexafluoride Decomposition Products Based on the Density Functional Theory. Sensors 2016, 16, 1830.

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