掺杂硫化钼对油中特征气体C2H2的吸附性能  

Adsorption Properties of the C2H2 Characteristic Gas in Oil by Doped MoS2

作　　者：王婧璇 周渠[1,2] 桂银刚 徐苓娜[1] 陈伟根[2] WANG Jingxuan;ZHOU Qu;GUI Yingang;XU Lingna;CHEN Weigen(College of Engineering and Technology,Southwest University,Chongqing 400716,China;State Key Laboratory of Power Transmission Equipment&System Security and New Technology,Chongqing University,Chongqing 400044,China)

机构地区：[1]西南大学工程技术学院,重庆400716 [2]重庆大学输配电装备及系统安全与新技术国家重点实验室,重庆400044

出　　处：《高电压技术》2020年第6期1962-1969,共8页High Voltage Engineering

基　　金：国家自然科学基金(51507144,51907165)。

摘　　要：乙炔(C2H2)是油浸式变压器故障的重要故障特征气体,其组分浓度和产气速率可有效反映电力变压器油纸绝缘性能。为实现油中C2H2特征气体的快速、准确、有效检测,提出一种基于金属掺杂硫化钼(MoS2)基半导体气体传感器的油中C2H2特征气体检测方法。基于第一性原理计算了本征及贵金属(Au和Ag)掺杂MoS2材料对油中特征气体C2H2的吸附特性。计算并比较了吸附能、电荷转移量、电子态密度等吸附特性,结果表明掺杂MoS2对C2H2的吸附为化学吸附,而本征MoS2则显示出物理吸附特性,强度为Au掺杂MoS2>Ag掺杂MoS2>本征MoS2。理论计算所得吸附特性结果,有利于完善MoS2材料的气敏机理,为基于MoS2传感器的油中故障特征气体检测奠定了基础。Acetylene(C2H2)is one of the most important fault characteristic gases in oil-immersed transformer discharge faults.The concentration and production rate can effectively reflect the insulation performance of oil-paper power transformer.In order to realize the effective detection of C2H2 characteristic gas in oil,a method for the detection of characteristic gases in oil by metal-doped molybdenum sulfide(Mo S2)based semiconductor gas sensor was proposed.Based on the first principle,the adsorption properties of C2H2 by intrinsic and noble metal(Au and Ag)doped MoS2 materials were calculated.The adsorption properties,such as adsorption energy,charge transfer,and electron state density,were calculated and compared.The results show that the adsorption of C2H2 by doped MoS2 is chemisorption,while the intrinsic MoS2 shows physical adsorption characteristics,the strength relationship is in the order of Au-MoS2>Ag-Mo S2>MoS2.The results of theoretical calculation of adsorption characteristics are conducive to the improvement of gas-sensing mechanism of MoS2 materials and lay a foundation for sensor detection of characteristic fault gases in oil.

关 键 词：第一性原理 油中特征故障气体 C2H2 硫化钼 贵金属掺杂 

分 类 号：TM407[电气工程—电器]