The Adsorption of C5F10O on $\alpha$-Alumina Surface under Electric Field: A DFT Study

In recent years, the perfluoroketone (C
₅
F
₁₀₀
) has drawn much attention as one of the potential environmental-friendly gas to substitute SF6 in power industry. C
₅
F
₁₀₀
performs well in insulation with the low GWP of less than 1. In the gas-insulated systems, the insulation gases will have inevitable and direct contact with different solid surfaces. The α-Al
₂
O
₃
-filled epoxy resin and Al
₂
O
₃
ceramics always be used as insulation materials in GIS and GIL. In this paper, the interaction between C
₅
F
₁₀
O and α-aluminum oxide under electric field was investigated by density functional theory (DFT) calculations. Based on several adsorption structures, an electric field was applied in Z direction, simulating the working condition of electrical apparatuses in practical engineering. The adsorption energy and charge transfer have been calculated, and it has been confirmed that the interaction of CsF
₁₀
O on α-Al
₂
O
₃
(0001) surface belongs to chemisorption, and the external E-field have little impacts on the adsorption properties in practical engineering, which can provide basics for further study on compatibility of the insulated gas-solid systems and guidance for the stable operation of eco-friendly apparatus using C
₅
F
₁₀
O.