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C3F7CN is a new green insulation gas which can reduce SF6 emission. The fault in equipment with C3F7CN insulation gas can be diagnosed by detecting decomposition components. Metal-doped MoS2 is considered to be suitable for gas sensors with good adsorption property. In this paper, the stability of Ni- MoS2 is studied and its adsorption performance and sensing characteristics for C3F7CN main products including CO and CF4 are analyzed according to the first-principle. The results show that Ni can be doped on the MoS2 stably. The adsorption energy and charge transfer of Ni-MoS2 to CO are -0.753 eV and 0.104 e with chemisorption. Meanwhile, the Sensing characteristics of Ni-MoS2 for CO are ideal, and it can be used for C3F7CN mixture decomposition detect. The adsorption properties of Ni-MoS2 for CF4 are poor. The results can provide theoretical basis for C3F7CN mixture equipment diagnostics.

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Ni-MoS2 as a Gas Sensor for C3F7CN Decomposition Components: A First-Principles Study

  • 会议论文

  • 发表日期：

    2025年

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  • Guoliang Liu,
  • Hong Xu,
  • Chongxi Zhu,
  • Aoyang Hu,
  • Yunkai Wang,
  • Zhiwei Hua

摘要

C3F7CN is a new green insulation gas which can reduce SF6 emission. The fault in equipment with C3F7CN insulation gas can be diagnosed by detecting decomposition components. Metal-doped MoS2 is considered to be suitable for gas sensors with good adsorption property. In this paper, the stability of Ni- MoS2 is studied and its adsorption performance and sensing characteristics for C3F7CN main products including CO and CF4 are analyzed according to the first-principle. The results show that Ni can be doped on the MoS2 stably. The adsorption energy and charge transfer of Ni-MoS2 to CO are -0.753 eV and 0.104 e with chemisorption. Meanwhile, the Sensing characteristics of Ni-MoS2 for CO are ideal, and it can be used for C3F7CN mixture decomposition detect. The adsorption properties of Ni-MoS2 for CF4 are poor. The results can provide theoretical basis for C3F7CN mixture equipment diagnostics.