화학공학소재연구정보센터
Applied Surface Science, Vol.254, No.18, 5822-5826, 2008
Diffusions of small clusters on Pt(111) and Cu(111) surfaces
Diffusions of small cluster Pt-6 on Pt(1 1 1) surface and Cu-6 on Cu(1 1 1) are studied by molecular dynamics simulation, respectively. The atomic interaction is modeled by the semiempirical potential. The results show that the diffusion processes in the two systems are far different. For example, on Pt(1 1 1) surface, the hopping of single atom and the shearing of two atoms of hexamer only occur on the adatom(s) adsorbed at B-step, while on Cu(1 1 1) surface they can appear on the adatom(s) either at A-step or B-step. To the concerted translation of the parallelogram hexamer, the anisotropy in the diffusion path is observed in the two systems, the mechanisms and then the preferential paths, however, are completely different. The reasons for these diffusion characteristics and differences are discussed. (C) 2008 Elsevier B. V. All rights reserved.