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C4F7N present excellent prospects for replacing SF6 as an insulating gas application. However, the interaction between C4F7N gas and electrode material is still in the exploration stage. In the present study, we carried out a theoretical study on the co-adsorption of C4F7N gas and common environmental impurities such as micro water and micro oxygen on the surface of copper electrode, constructed a model of adsorption reaction at the gas-solid interface based on the Density Functional Theory (DFT), and calculated the adsorption characteristics of C4F7N, H2O, O2 molecules, and the dissociated H, O and OH particles, and analyzed the adsorption characteristics of C4F7N molecules. The relevant results of this study provide a theoretical reference for the behavioral properties of C4F7N molecules and water and oxygen moisture on the surface of copper electrodes and also provide a computational basis for analyzing the influence of the impurity particles on the C4F7N dissociation process study.

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Theoretical Study of the Co-adsorption Properties of C4F7N Molecules with Environmental Impurity Molecules on the Surface of Copper Electrodes

  • 会议论文

  • 发表日期：

    2026年

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  • Dibo Wang,
  • Zhaolun Cui,
  • Jiaming Xiong,
  • Ran Zhuo,
  • Yashuang Zheng

摘要

C4F7N present excellent prospects for replacing SF6 as an insulating gas application. However, the interaction between C4F7N gas and electrode material is still in the exploration stage. In the present study, we carried out a theoretical study on the co-adsorption of C4F7N gas and common environmental impurities such as micro water and micro oxygen on the surface of copper electrode, constructed a model of adsorption reaction at the gas-solid interface based on the Density Functional Theory (DFT), and calculated the adsorption characteristics of C4F7N, H2O, O2 molecules, and the dissociated H, O and OH particles, and analyzed the adsorption characteristics of C4F7N molecules. The relevant results of this study provide a theoretical reference for the behavioral properties of C4F7N molecules and water and oxygen moisture on the surface of copper electrodes and also provide a computational basis for analyzing the influence of the impurity particles on the C4F7N dissociation process study.