Atomic Structure of Small and Intermediate-Size Silver Nanoclusters

Abstract

Molecular dynamic simulations were performed to study the morphology and binding energy of the most stable isomers of silver clusters with diameters of less than 2 nm. A 5-fold symmetry was found in most cases, and a novel morphology for the clusters of 39 and 116 silver atoms was identified. This morphology can be understood in terms of decahedral and icosahedral geometries, which are intercalated, as we explain in detail. These kind of structures have been observed for gold and now are predicted for small and intermediate silver nanoparticles.