The sensing mechanism of N-doped SWCNTs toward SF6 decomposition products: A first-principle study
The sensing mechanism of N-doped SWCNTs toward SF6 decomposition products: A first-principle study
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DOI：
10.1016/j.apsusc.2018.01.247
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发表时间：
2018-05-15
影响因子：
6.7
通讯作者：
Zhang, Xiaoxing
中科院分区：
文献类型：
--
作者：
Gui, Yingang;Tang, Chao;Zhang, Xiaoxing
为了在线监测SF6绝缘设备的绝缘状态，选择SF6放电条件下的两种典型分解产物SOF2和SO2F2作为评价放电类型和严重程度的目标气体。本工作采用单N原子掺杂的方法来提高单壁碳纳米管对SOF2和SO2F2的气敏性。考虑单分子和双分子吸附，全面分析了氮掺杂单壁碳纳米管的吸附特性。计算结果表明，N原子掺杂提高了碳纳米管的表面活性。态密度和分子轨道分析表明，气体分子与N掺杂单壁碳纳米管之间的弱相互作用几乎不改变其电学性质。而气体分子与氮掺杂单壁碳纳米管之间的化学吸附则明显降低了吸附体系的电导率。(C)2018爱思唯尔B.V.保留所有权利。
In order to monitor the insulation status of SF6-insulated equipment on-line, SOF2 and SO2F2, two typical decomposition products of SF6 under electric discharge condition, are chosen as the target gases to evaluate the type and severity of discharge. In this work, single N atom doping method is adopted to improve the gas sensitivity of single wall carbon nanotubes to SOF2 and SO2F2. Single and double gas molecules adsorptions are considered to completely analyze the adsorption properties of N-doped single wall carbon nanotubes. Calculation results show that N atom doping enhances the surface activity of carbon nanotubes. When gas molecules physically adsorbed on N-doped single wall carbon nanotubes, the weak interaction between gas molecules and N-doped single wall carbon nanotubes nearly not changes the electrical property according to analysis of the density of states and molecular orbitals. While the chemisorption between gas molecules and N-doped single wall carbon nanotubes distinctly decreases the conductivity of adsorption system. (C) 2018 Elsevier B.V. All rights reserved.