TY - JOUR
T1 - The compatibility between environmentally friendly insulation gas C4F7N and α-Al2O3 (0001) surface
T2 - Theoretical and experimental insights
AU - Zhang, Boya
AU - Zhang, Ziyue
AU - Li, Xingwen
AU - Xiong, Jiayu
AU - Yang, Tao
AU - Deng, Yunkun
N1 - Publisher Copyright:
© 2020 Elsevier B.V.
PY - 2021/1/15
Y1 - 2021/1/15
N2 - In this paper, the compatibility between C4F7N and α-Al2O3 (0001) surface has been evaluated based on the density functional theory (DFT). The adsorption energy, total charge transfer, states analysis, and electron density difference were obtained to analyze the interaction behavior of C4F7N on α-Al2O3 (0001) surface. The results demonstrated a chemisorption between C4F7N and α-Al2O3 (0001) surface. Moreover, the pathway of C4F7N dissociated on α-Al2O3 (0001) surface after the adsorption was determined. However, the activation energy required for the dissociation is too large to achieve, which means that the dissociation of C4F7N on α-Al2O3 surface is difficult to occur. Additionally, the thermal compatibility between α-Al2O3 and C4F7N were verified by experiments, which shows a certain compatibility between C4F7N and α-Al2O3 (0001) under up to 170 ℃. The results demonstrate that α-Al2O3-based materials can be used as insulators in C4F7N-filled electrical equipment.
AB - In this paper, the compatibility between C4F7N and α-Al2O3 (0001) surface has been evaluated based on the density functional theory (DFT). The adsorption energy, total charge transfer, states analysis, and electron density difference were obtained to analyze the interaction behavior of C4F7N on α-Al2O3 (0001) surface. The results demonstrated a chemisorption between C4F7N and α-Al2O3 (0001) surface. Moreover, the pathway of C4F7N dissociated on α-Al2O3 (0001) surface after the adsorption was determined. However, the activation energy required for the dissociation is too large to achieve, which means that the dissociation of C4F7N on α-Al2O3 surface is difficult to occur. Additionally, the thermal compatibility between α-Al2O3 and C4F7N were verified by experiments, which shows a certain compatibility between C4F7N and α-Al2O3 (0001) under up to 170 ℃. The results demonstrate that α-Al2O3-based materials can be used as insulators in C4F7N-filled electrical equipment.
KW - Adsorption properties
KW - CFN
KW - Compatibility
KW - Density functional theory
KW - α-AlO(0001)
UR - https://www.scopus.com/pages/publications/85090929574
U2 - 10.1016/j.apsusc.2020.147839
DO - 10.1016/j.apsusc.2020.147839
M3 - 文章
AN - SCOPUS:85090929574
SN - 0169-4332
VL - 536
JO - Applied Surface Science
JF - Applied Surface Science
M1 - 147839
ER -