Adsorption and gas sensing properties of CuO modified MoSe2 to C3F7CN decomposition products

被引：14
作者：
Wang, Xueru [1 ]
Gui, Yingang [1 ]
Xu, Lingna [1 ]
Chen, Xianping [2 ,3 ]
机构：
[1] Southwest Univ, Coll Engn & Technol, Chongqing 400715, Peoples R China
[2] Chongqing Univ, Coll Optoelect Engn, Chongqing, Peoples R China
[3] Chongqing Univ, Key Lab Optoelect Technol & Syst Educ, Minist China, Chongqing, Peoples R China
来源：
MATERIALS TODAY COMMUNICATIONS | 2021年 / 28卷
基金：
中国国家自然科学基金;
关键词：
CuO modified MoSe2; C3F7CN; Decomposition products; DFT; Gas sensing; ELECTRICAL INSULATION; SULFUR-HEXAFLUORIDE; LARGE-AREA; SF6; MIXTURE; NI; MECHANISM; BANDGAP; SWCNTS;
D O I：
10.1016/j.mtcomm.2021.102677
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In this paper, the adsorption properties of the decomposition products of C3F7CN on CuO modified MoSe2 surface were studied based on first-principle calculations. The adsorption models of CuO modified MoSe2 for four decomposition products of C3F7CN: CF4, COF2, CF3CN, and C2F5CN, were established and analyzed by exploring its discharge state density, charge difference density, and molecular orbit. The analysis shows that CuO receives a stable doping structure on MoSe2 surface. CuO modification increases the conductivity of the system, especially by 2CuO doping. After gas adsorption, it can be found that 2CuO-MoSe2 shows strong adsorption for COF2 gas while weak adsorption for CF4 gas. CuO modified MoSe2 shows apparent adsorption selectivity for CF3CN and C2F5CN gases. This study proposed a new way to detect the partial discharge in GIS by analyzing the decomposition products of C3F7CN, which is of great significance for reducing greenhouse gas emissions and improving the operation stability of GIS.
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页数：11
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共 37 条
  • [1] Adsorption and gas -sensing properties of Pt 2?GaNNTs for SF 6 decomposition products
    Cao, Wenhai
    Gui, Yingang
    Chen, Tao
    Xu, Lingna
    Ding, Zhuyu
    [J]. APPLIED SURFACE SCIENCE, 2020, 524
  • [2] Detecting Decompositions of Sulfur Hexafluoride Using MoS2 Monolayer as Gas Sensor
    Chen, Dachang
    Tang, Ju
    Zhang, Xiaoxing
    Li, Yi
    Liu, Huijun
    [J]. IEEE SENSORS JOURNAL, 2019, 19 (01) : 39 - 46
  • [3] Sulfur hexafluoride and the electric power industry
    Christophorou, LG
    Olthoff, JK
    VanBrunt, RJ
    [J]. IEEE ELECTRICAL INSULATION MAGAZINE, 1997, 13 (05) : 20 - 24
  • [4] The performance of nanoporous phosphorene as membranes for separating three typical C3F7CN insulating gas decomposition products
    Du, Boxue
    Li, Xiayu
    Xiao, Meng
    [J]. APPLIED SURFACE SCIENCE, 2021, 537
  • [5] Adsorption of C2H2, CH4 and CO on Mn-doped graphene: Atomic, electronic, and gas-sensing properties
    Gui, Yingang
    Peng, Xiao
    Liu, Kai
    Ding, Zhuyu
    [J]. PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2020, 119
  • [6] Pt Cluster Modified h-BN for Gas Sensing and Adsorption of Dissolved Gases in Transformer Oil: A Density Functional Theory Study
    Gui, Yingang
    Li, Tao
    He, Xin
    Ding, Zhuyu
    Yang, Pingan
    [J]. NANOMATERIALS, 2019, 9 (12)
  • [7] Ab Initio Study of SOF2 and SO2F2 Adsorption on Co-MoS2
    Gui, Yingang
    Wang, Yao
    Duan, Shukai
    Tang, Chao
    Zhou, Qu
    Xu, Lingna
    Zhang, Xiaoxing
    [J]. ACS OMEGA, 2019, 4 (02): : 2517 - 2522
  • [8] The sensing mechanism of N-doped SWCNTs toward SF6 decomposition products: A first-principle study
    Gui, Yingang
    Tang, Chao
    Zhou, Qu
    Xu, Lingna
    Zhao, Zhongyong
    Zhang, Xiaoxing
    [J]. APPLIED SURFACE SCIENCE, 2018, 440 : 846 - 852
  • [9] Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
    Hammer, B
    Hansen, LB
    Norskov, JK
    [J]. PHYSICAL REVIEW B, 1999, 59 (11) : 7413 - 7421
  • [10] Comparison of sensing and electronic properties of C2H2 on different transition metal oxide nanoparticles (Fe2O3, NiO, TiO2) modified BNNT (10,0)
    He, Xin
    Gui, Yingang
    Liu, Kai
    Xu, Lingna
    [J]. APPLIED SURFACE SCIENCE, 2020, 521 (521)
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