The compatibility between environmentally friendly insulation gas C₄F₇N and α-Al₂O₃ (0001) surface: Theoretical and experimental insights

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.