摘要
六氟化硫(SF_6)分解组分检测是诊断气体绝缘设备早期潜伏性绝缘故障的最佳方式之一,通过发现早期潜伏性故障可以有效避免突发性事故的发生。功能化石墨烯作为气敏材料在传感器方面展现了良好的应用前景。因此,该文基于第一性原理计算分析了功能化石墨烯基材料即Au原子掺杂石墨烯对SF_6分解组分SO_2F_2、SOF_2、SO_2和H2S的气敏响应特性。理论计算了分解组分的分子吸附能,净电荷转移量,电子态密度,Mulliken电荷布居数,自旋磁矩,最高已占轨道,最低未占轨道等一系列表征气敏响应特性参量。结果表明:SO_2F_2、SOF_2和H2S三种特征气体在Au掺杂石墨烯(金掺杂石墨烯)表面的吸附为较强烈的化学吸附效应,作用强度SO_2F_2>H2S>SOF_2,而SO_2在Au掺杂石墨烯表面的吸附作用介于物理吸附效应与化学吸附的临界状态。金掺杂石墨烯对SO_2F_2表现出良好的选择性和较高的灵敏性。仿真所得Au掺杂石墨烯对SF_6分解组分气敏响应特性结果,对实验探究用于SF_6绝缘设备的Au掺杂石墨烯气敏传感器具有重要指导作用。
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 sensing 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 sensors used in SF6 insulated equipment.
出处
《中国电机工程学报》
EI
CSCD
北大核心
2017年第6期1828-1834,共7页
Proceedings of the CSEE
