Study on Adsorption Characteristics of Gas Insulation Medium C<sub>4</sub>F<sub>7</sub>N on Al（110） Surface

LIN Xin; ZHONG Jianying; WANG Qiang; ZHANG Jia; XU Jianyuan

doi:10.13296/j.1001-1609.hva.2021.03.014

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Study on Adsorption Characteristics of Gas Insulation Medium C₄F₇N on Al（110） Surface

更新时间：2025-04-26

- Study on Adsorption Characteristics of Gas Insulation Medium C₄F₇N on Al（110） Surface
- High VoltageApparatus Vol. 57, Issue 3, Pages: 83-88(2021)
- 作者机构：
  
  1. 沈阳工业大学电气工程学院
  2. 平高集团有限公司
- 作者简介：
- 基金信息：
- DOI：10.13296/j.1001-1609.hva.2021.03.014
  CLC： TM213
- Published：2021
- 稿件说明：
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[1]林莘,钟建英,王强,张佳,徐建源.气体绝缘介质C_4F_7N在Al(110)表面吸附特性的研究[J].高压电器,2021,57(03):83-88.

LIN Xin, ZHONG Jianying, WANG Qiang, et al. Study on Adsorption Characteristics of Gas Insulation Medium C₄F₇N on Al（110） Surface[J]. High voltageapparatus, 2021, 57(3): 83-88.
[1]林莘,钟建英,王强,张佳,徐建源.气体绝缘介质C_4F_7N在Al(110)表面吸附特性的研究[J].高压电器,2021,57(03):83-88. DOI： 10.13296/j.1001-1609.hva.2021.03.014.

LIN Xin, ZHONG Jianying, WANG Qiang, et al. Study on Adsorption Characteristics of Gas Insulation Medium C₄F₇N on Al（110） Surface[J]. High voltageapparatus, 2021, 57(3): 83-88. DOI： 10.13296/j.1001-1609.hva.2021.03.014.

摘要

气体绝缘介质C

N在电气强度和环保方面表现优异

但对C

N气体与材料相容性的研究相对鲜见。金属材料铝（Al）广泛应用于气体绝缘设备

故文中基于密度泛函理论

对C

N分子在Al（110）表面进行吸附仿真研究。首先

对C

N和Al（110）表面结构进行计算分析

讨论C

N在Al（110）表面吸附的初始结构;其次

对初始结构进行仿真计算

通过计算吸附过程中的吸附能、转移电荷、差分电荷密度和态密度

分析C

N在Al（110）表面吸附过程

探究C

N与Al（110）表面的相互作用机制。研究表明

N分子的CN基团具有较强的反应活性

易吸附于Al（110）表面的顶位和长桥位

CN基团中N原子、C原子的s和p轨道与Al（110）表面上Al原子的s和p轨道之间发生杂化

使C

N与A（110）表面之间产生化学键。

Abstract

the gas insulation medium

is superior in the aspect of electrical strength and environmental pro-tection.However

the study on the compatibility of C

N gas with materials is relatively rare.Aluminum（A1）

akind of metallic material

is widely used in gas-insulated equipment.Therefore

simulation study on the adsorptionof C

N molecules on the surface of Al（110）is performed on the basis of density functional theory.Firstly

the sur-face structure of C

N and Al（110）is calculated and analyzed and initial structure of C

N adsorbed on Al（110）surface is discussed.Secondly

the initial structure is simulated and calculated.The absorption process of C

N onAl（110）surface is analyzed by way of calculating adsorption energy

transfer charge

differential charge densityand state density during the adsorption process so to explore the interaction mechanism between C

N and Al（110）surface.It is shown by the study that the CN group of C

N molecule has strong reactivity and is easily adsorbed ontop and long bridge positions of the Al（110）surface.Hybridization occurs between the s and p orbitals of N and C at-oms in the CN group and the s and p orbitals of Al atoms on the surface of Al（110）

resulting in a chemical bond be-tween C

N and the surface of Al（110）.

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Study on Adsorption Characteristics of Gas Insulation Medium C4F7N on Al（110） Surface

DOI：10.13296/j.1001-1609.hva.2021.03.014

摘要

Abstract

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references

Study on Adsorption Characteristics of Gas Insulation Medium C₄F₇N on Al（110） Surface