Using embedded-atom-method potential of Ag/Cu heterogeneous system, structural stabilities and diffusion behaviors of small Cu clusters on Ag (111) surface were investigated by molecular dynamics studies (table 6). The binding energies, the effective diffusion barriers and the corresponding pre-factors for Cu clusters were calculated. Structural stabilities and the diffusion properties of small Cu clusters exhibited significant magic size effects: the trimer and heptamer clusters with relatively higher effective diffusion barriers were more stable than the other sizes. Moreover, the dimer and trimer rotation mechanism were also investigated.

Magic Size Effects of Small Cu Clusters Diffusion on Ag (111) Surface. Wang, C., Wang, F., Zhang, Y., Sun, Q., Jia, Y.: Applied Surface Science, 2012, 261, 873-9

Table 6

Diffusion parameters for Cu clusters on Ag (111) surface