The Surface Modification of ZrO2 Film by Zr/Nb Ions Implantation and Its Theoretical Explanation

Zirconium dioxide (ZrO2) possesses numerous advantages such as high mechanical strength, low friction coefficient, excellent optical properties, and 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 Ta/ZrO2 film was fabricated on Si (100) and titanium alloy substrates using a magnetron sputtering system, with tantalum (Ta) serving solely as a transition layer. 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 demonstrated 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.