Photoelectron spectroscopy and density functional calculations of AgSin- (n=3-12) clusters

We investigated the structural evolution and electronic properties of AgSin-(n = 3-12) clusters using anion photoelectron spectroscopy and density functional theory calculations. The vertical detachment energies and adiabatic detachment energies of AgSin- (n = 3-12) clusters were estimated from their photoelectron spectra. The structures of the AgSin- (n = 3-12) clusters were tentatively assigned based on the comparison of theoretical calculations and experimental measurements. The studies show that the structures of AgSin- (n = 3-12) clusters are dominated by exohedral structures with the Ag atom occupying the low coordinated sites. No endohedral structure has been found for AgSin- clusters with n <= 12. (C) 2013 AIP Publishing LLC.