中国电机工程学报2017，Vol.37Issue(6)：1828-1834,7.DOI:10.13334/j.0258-8013.pcsee.160069
基于第一性原理的金掺杂石墨烯对SF6分解组分的气敏分析
Gas Sensing Analysis Properties of Au-Graphene to SF6 Decomposition Products Based on a First Principle Study
张晓星 1黄蓉 1喻蕾 1董星辰 1桂银刚1
作者信息
- 1. 输配电装备及系统安全与新技术国家重点实验室(重庆大学),重庆市沙坪坝区40044
- 折叠
摘要
Abstract
Detection the decomposed products of insulated SF6 is one of the effective ways to accurately diagnose the latent insulated faults in electrical equipment early.The sudden accident can be avoided effectively by finding the latent insulated faults.Furthermore,the functionalized graphene,as one of the latest gas sensing material,shows a good application prospect in this detection field.Therefore,the first-principle calculation approach was proposed to calculate and analyze the gas seining properties of functionalized graphene (Au-doped graphene,Au-Graphene) to typical decomposed products of SF6∶ SO2F2,SOF2,SO2 and H2S.A series of characteristic parameters,such as adsorption energies,charges transfer,density of electronic states,Mulliken population analysis,magnetic moment,the highest occupied molecular orbital and the lowest unoccupied molecular orbital were computed to characterize the gas sensing properties.The results show that the adsorption of SO2F2,SOF2 and SO2 on Au-Graphene surface attributed to strong chemical adsorption,ordering by:SO2F2＞H2S＞SOF2 according to adsorption energy.Otherwise,the adsorption of SO2 molecule was situated between physical adsorption and chemical adsorption.Besides,Au-Graphene possessed good sensitivity and selectivity to SO2F2.The calculated gas sensing results to decomposed products of SF6 also plays an important guide-role on experiments to explore new Au-Graphene based gas sensorsused in SF6 insulated equipment.关键词
第一性原理/六氟化硫分解组分/Au掺杂石墨烯/气敏传感器Key words
first-principle/SF6 decomposed products/Au-Graphene/gas sensors分类
信息技术与安全科学引用本文复制引用
张晓星,黄蓉,喻蕾,董星辰,桂银刚..基于第一性原理的金掺杂石墨烯对SF6分解组分的气敏分析[J].中国电机工程学报,2017,37(6):1828-1834,7.
