A DFT-Study of Cl Ingress into α-Al2O3(0001) and Al(111) and Its Possible Influence on Localized Corrosion of Al

Ingress of chloride into alpha-Al2O3(0001) and Al(111) was calculated by first-principles theory calculations by considering Cl insertion into Al or O vacancies within alpha-Al2O3(0001) or into vac ...