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Theoretical study of SF6 decomposition products adsorption on metal oxide cluster-modified single-layer graphene
Journal of Industrial and Engineering Chemistry ( IF 6.1 ) Pub Date : 2021-09-24 , DOI: 10.1016/j.jiec.2021.09.025
Qingfang Zhang 1 , Yingang Gui 2 , Han Qiao 1 , Xianping Chen 3 , Lingzhi Cao 1
Affiliation  

GIS plays an irreplaceable role in the modern electrical system. However, partial discharge will inevitably occur under insulation defect conditions and may lead to serious insulation malfunction. The online monitoring method based on gas sensor is a feasible method to diagnose the severity of partial discharge in GIS. In this paper, metal oxide (TiO2, Fe2O3, NiO) cluster-modified single-layer graphene was proposed as a novel gas sensor to detect the characteristic components of SF6 decomposition products, SOF2 and SO2F2. Density functional theory calculations were carried out to study the gas adsorption and sensing mechanisms. The adsorption structures of gas molecules and the metal oxide cluster-modified single-layer graphene were built and optimized. Then, the most stable structure was selected to analyze the corresponding adsorption parameters. Calculation results showed that metal oxides decoration reduces the energy gap, improving the electrical conductivity and enhancing the adsorption activity of the graphene surface. According to DOS and CDD analyses, TiO2 modification obtained the best adsorption effect. Calculation results show that the metal-oxide-modified graphene sensor provides an effective method for effectively estimating the operating state of GIS by detecting SF6 decomposition products.



中文翻译:

SF6分解产物吸附在金属氧化物簇修饰单层石墨烯上的理论研究

GIS在现代电力系统中发挥着不可替代的作用。但是,在绝缘缺陷的情况下不可避免地会发生局部放电,并可能导致严重的绝缘故障。基于气体传感器的在线监测方法是诊断GIS局部放电严重程度的一种可行方法。在本文中,金属氧化物(TiO 2、Fe 2 O 3、NiO)簇修饰的单层石墨烯被提出作为一种新型气体传感器来检测SF 6分解产物、SOF 2和SO 2 F 2的特征成分。. 进行密度泛函理论计算以研究气体吸附和传感机制。构建并优化了气体分子和金属氧化物簇修饰单层石墨烯的吸附结构。然后,选择最稳定的结构来分析相应的吸附参数。计算结果表明,金属氧化物修饰降低了能隙,提高了石墨烯表面的导电性,增强了吸附活性。根据DOS和CDD分析,TiO 2改性获得了最好的吸附效果。计算结果表明,金属氧化物修饰的石墨烯传感器通过检测SF 6为有效估计GIS的运行状态提供了一种有效的方法 分解产物。

更新日期:2021-11-17
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