Structural and optical properties of the Ag-tyrosine complexes ( = 3-12): a density functional theory study.

We study the optical properties of Ag ( = 3-12) neutral clusters and their coordination with a tyrosine (Tyr) molecule. A global search strategy coupled with density functional theory (DFT) computations explored the potential energy surface. Adsorption energy calculations predicted that Tyr coordination stabilizes the metal clusters, favouring the Ag-Tyr complexes with an even number of silver atoms.