Surface self-diffusion of a Pt adatom on cuboctahedral and truncated decahedral clusters, size dependence

摘要: The self-diffusion of single Pt adatom on the surface cuboctahedral and truncated decahedral clusters with 561–10 179 atoms are studied within context many-body potentials obtained via embedded atom method. minimum energy diffusion path corresponding barrier for surfaces determined through a combination quenched molecular dynamics nudged elastic band calculated barriers consistent available experimental data. dependence across step edge cluster size is found. For larger clusters, simulations show that movement confined to central region, may escape from center region only at elevated temperatures. In addition, we also find structure more favorable over smaller clusters. growth experiments support our results.