Author:
Tang Yan-Li ,Li Rong-Wu ,
Abstract
In this paper, we use molecular dynamics simulation to analyze the diffusion and dissociation barriers of homogeneous (Cu2) and heterogeneous dimer (Ag2, Pd2) on the surface of Cu(100), (111) surface. We explore the diffusion and dissociation process and characteristics of those dimers on Cu surface and compare their diffusion and dissociation barriers of dimer, the binding energies of the dimer and substrate, substrate surface textures, temperatures, etc. The semiempirical EAM potential is used in the simulation.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
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