Effects of Dy on the adherence of Al2O3/NiAl interface: A combined first-principles and experimental studies

► The effects of Dy on the adherence of the Al2O3/NiAl interface are investigated. ► Dy has a strong affinity for negative impurity S by the formation of Dy-S bond. ► Dy directly improves the adherence of the Al2O3/NiAl interface.