摘要
C_(2)H_(2)作为油浸式电力设备运行过程的主要故障特征气体之一,实现其高效检测有利于对设备运行状态进行准确评估。目前气敏材料是油中溶解气体检测研究的重点,为此利用第一性原理仿真对不同MoS_(2)基复合材料的气敏机理进行分析,筛选出气敏性能好的组合形式。构建Sn原子和Zn原子复合后的单层MoS_(2)(001)面超晶胞模型,计算复合后的形成能、复合原子电荷转移量和单层MoS_(2)晶体态密度。针对两个复合模型及纯MoS_(2)(001)面晶体建立C_(2)H_(2)气体的吸附模型,计算吸附能、气体电荷转移量、差分电荷密度和吸附后气体的态密度。结果表明C_(2)H_(2)气体分子在Zn原子复合模型上的转移电子量最多,吸附能最大。研究成果对高效C_(2)H_(2)气体传感器的制备具有重要意义。
C_(2)H_(2) is one of the main fault characteristic gases in the operation process of oil-immersed power equipment.High-efficiency detection of C_(2)H_(2) is beneficial to the accurate assessment of the equipment operating status.At present,gas-sensitive materials are the focus of research on the detection of dissolved gases in oil.For this reason,First Principle simulation is used to analyze the gas-sensing mechanism of different MoS_(2)-based composite materials,and the combination form with good gas-sensing performance is screened out.A single-layer MoS_(2)(001)surface supercell model was constructed after the recombination of Sn atoms and Zn atoms,and the formation energy after recombination,the charge transfer amount of the recombined atoms,and the single-layer MoS_(2) crystal state density was calculated.A C_(2)H_(2) gas adsorption model is established for two composite models and pure MoS_(2)(001)plane crystals,and the adsorption energy,gas charge transfer amount,differential charge density and the density of states of the adsorbed gas are calculated.The results show that C_(2)H_(2) gas molecules have the largest number of transferred electrons and the largest adsorption energy on the Zn atom recombination model.The research results are of great significance to the preparation of efficient C_(2)H_(2) gas sensors.
作者
钱国超
彭庆军
邹阅培
宋子豪
王仲昌
QIAN Guochao;PENG Qingjun;ZOU Yuepei;SONG Zihao;WANG Zhongchang(Electric Power Research Institute of Yunnan Power Grid Co.,Ltd.,Kunming 650217,China;Kunming Power Supply Bureau of Yunnan Power Grid Co.,Ltd.,Kunming 650000,China;Changzhou Power Supply Bureau of State Grid Jiangsu Electric Power Co.,Ltd.,Changzhou 213003,China;Cascade Dispatching Communication Center of Three Gorges Project,Yichang 443000,China)
出处
《电工技术》
2021年第21期161-166,共6页
Electric Engineering
基金
南方电网科技项目(编号YNKJXM20180173)。
