First Principles Study on Influence of Doping Elements on Fe/Al₂O₃ Interface

The effects of doped elements Ti, Mo and Cr on Fe/Al₂O₃ interface were studied by first principles calculation and experimental study. The results show that the doping segregation effect of Ti and Mo on the Fe/Al₂O₃ interface is more obvious, which can improve the interface bonding strength. The electron orbital hybridization behavior of Fe/Al₂O₃ interface doped with Ti is stronger, and the enhanced bonding strength is greater than that of Mo and Cr. The results of calculation and experiment mutually verify that adding Ti element can effectively improve the wettability of the surface layer of Fe/Al₂O₃ composite and enhance the interfacial bonding strength.