The influence of rare earth (La, Ce, and Y) doping on the antibacterial properties of silver ions

Abstract

In this study, the effect of rare earth element doping (especially La, Ce and Y) on the antimicrobial properties of silver ions is investigated using first-principles calculations based on density functional theory. The subtle effects of rare earth element doping on the oxidizing ability, charge difference density and d-band center of silver ions were investigated. The results showed that the adsorption energy of Y-doped Ag+ for OH− increased significantly from −3.870 eV (undoped) to −8.191 eV. In addition, the d-band center was shifted from 4.2261 eV to 3.1774 eV, indicating enhanced oxidizing ability and reactivity. In conclusion, the present study demonstrated that Y doping significantly increased the oxidizing ability and reactivity of Ag+, thus enhancing its antimicrobial properties. The insights gained from this study open up new avenues for the application of silver ions in various fields such as medicine, food and environment.