Interactions of C5F10O Molecule With Cu (1 1 0) and (1 0 0) Surfaces Based on Density Functional Theory
This paper based on density functional theory (DFT) investigate the interaction of C5-PFK molecule with Cu (110) and (100) surfaces, in order to analyze the chemical compatibility of Cu metal in the environment of C5F10O (C5-PFK) insulation gas.The frontier molecular orbital theory implies that the C = O group in the C5-PFK molecule can interact st