The Surface Modification of ZrO2 Film by Zr/Nb Ion Implantation and First-Principles Calculation

Abstract

Zirconium dioxide (ZrO2) possesses numerous advantages such as high mechanical strength, a low friction coefficient, excellent optical properties, and an extended lifespan. Consequently, ZrO2 has a broad research foundation and practical significance in functional films and wear-resistant coatings. However, it suffers from brittleness and low ductility when used as a bio-coating material. In this study, a ZrO2 film was fabricated on Si (100) and titanium alloy substrates using a magnetron sputtering system. Subsequently, Zr and Nb ions were implanted into the film at varying doses, but with consistent energy levels. The analysis focused on the film’s microstructure, mechanical properties, hydrophilicity, and corrosion resistance. The results demonstrate a significant improvement in the hydrophilicity and corrosion resistance of the ZrO2 film following the implantation of Zr and Nb ions. First-principles calculations based on density functional theory (DFT) principles indicated that, with increasing doping concentrations of Zr and Nb in the ZrO2 model, the stability of the model increased gradually, thereby enhancing its corrosion resistance. The developed product has propelled rapid advancements in fields such as biomedical implants.