The stability and diffusion behaviors of 1.3MPa Pt, Pd, Ni and Cu clusters supported on Pd(001) surface were studied by the Monte Carlo method. The support surface could strongly influence the stability and diffusion behaviors of the supported clusters. The structure transition temperatures of the supported clusters were much lower than the melting temperatures of their corresponding free clusters due to the vibration coupling between the support and the clusters. The stability of the supported clusters depended on not only the strength of metal-support interaction but also the strength of the metal-metal interaction. The diffusion constants of supported 1.3MPa clusters were similar to those of corresponding metal atoms. Combining the diffusion parameters with the critical temperature of the supported clusters, the thermal stability was closely related to the diffusion behaviors of the metal clusters.

Diffusion and Stability of Metal Clusters Supported on Pd(001) Surface. D.Tian, X.Guo: Chinese Journal of Chemical Physics, 2005, 18[3], 346-50