Size matching effect between anion vacancies and halide ions in passive film breakdown on copper

摘要

Different types of anion vacancies were optimized in passive films on copper via first-principles calculations based on density functional theory, and numerous potentiodynamic polarizations were performed to evaluate the size matching effect between anion vacancies and halide ions in passive film breakdown on copper. The size of the anion vacancies decreased to some extent compared with the corresponding atom due to the surface relaxation effect, and electrochemical experiments showed that the pitting potential for an oxide passive film on copper followed the order F??