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Study on surface adsorption of C2F6 and C3F8 by γ-Al2O3 based on density functional theory
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Dongyi WAN1, Gang WEI1, Zhengqin CAO1, Min HU1, Hang LIU2, Yao LUO1, Qiang YAO3
Insulating Materials | 2025, 58(2) : 76 - 84
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Insulating Materials | 2025, 58(2): 76-84
• Special Issue on Eco-friendly Insulating Gas •
Study on surface adsorption of C2F6 and C3F8 by γ-Al2O3 based on density functional theory
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Dongyi WAN1, Gang WEI1, Zhengqin CAO1, Min HU1, Hang LIU2, Yao LUO1, Qiang YAO3
Affiliations
  • 1Chongqing University of Science and Technology, Chongqing 401331, China
  • 2State Grid Chongqing Electric Power Company Ultra High Voltage Subsidiary, Chongqing 400039, China
  • 3Electric Power Research Institute of State Grid Chongqing Electric Power Company, Chongqing 400014, China
Published: 2025-02-20 doi: 10.16790/j.cnki.1009-9239.im.2025.02.011
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C4F7N will produce harmful decomposition by-products during discharge or overheating faults, especially C2F6 and C3F8, which have relatively large amount of production and pose a threat to the safe operation and service life of gas insulated equipment. Therefore, it is necessary to control and handle them. In this paper, the adsorption energy, charge transfer, and adsorption distance of C2F6 and C3F8 on γ-Al2O3(110) surface were studied, and a state density analysis was conducted to evaluate the possibility of γ-Al2O3 as a by-product adsorbent. The results show that the γ-Al2O3 surface has strong adsorption capabilities for C2F6 and C3F8, and the adsorption energies reaches -0.5744 eV and -2.819 eV, respectively, showing strong adsorption effects. Particularly, the adsorption configurations at Al sites show higher stability and strong charge transfer phenomenon, indicating that the two gases have strong interaction with γ-Al2O3. The state density analysis further confirms that the adsorption of C2F6 and C3F8 not only alters the electronic states on the γ-Al2O3 surface, but also influences its electronic and chemical properties, which provides theoretical support for using γ-Al2O3 as a by-product adsorbent for C4F7N.

C4F7N  /  γ-Al2O3  /  adsorption performance  /  state density analysis
Dongyi WAN, Gang WEI, Zhengqin CAO, Min HU, Hang LIU, Yao LUO, Qiang YAO. Study on surface adsorption of C2F6 and C3F8 by γ-Al2O3 based on density functional theory[J]. Insulating Materials, 2025 , 58 (2) : 76 -84 . DOI: 10.16790/j.cnki.1009-9239.im.2025.02.011
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doi: 10.16790/j.cnki.1009-9239.im.2025.02.011
  • Receive Date：2024-06-20
  • Online Date：2025-11-06
  • Published：2025-02-20
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History
  • Received：2024-06-20
  • Revised：2024-09-09
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Affiliations
    1Chongqing University of Science and Technology, Chongqing 401331, China
    2State Grid Chongqing Electric Power Company Ultra High Voltage Subsidiary, Chongqing 400039, China
    3Electric Power Research Institute of State Grid Chongqing Electric Power Company, Chongqing 400014, China
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
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Genus		 种数
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Percentage of total
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鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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