北京师范大学学报：自然科学版2012，Vol.48Issue(6)：605-608,4.
吸附原子及二聚物在Ag（111）和Cu（111）表面上的扩散和解离研究
AD-ATOM AND DIMER DIFFUSION AND DISSOCIATION ON Ag (111) AND Cu (111) SURFACE
摘要
Abstract
Molecular dynamics simulation was used to analyze diffusion and dissociation barriers of Ag. Cu and Ag2.Cu2 on Ag and Cu(111) surface. The diffusion and dissociation process and characteristics of those adatoms and dimers were explored and compared with binding energy, matching adatom or dimer with substrate. Semi-empirical EAM potential was used in simulation. Data showed that, on the same substrate surface, diffusion barriers of adatoms or dimers were related with their binding energy with substrate; while on different substrate surface, the diffusion barrier of adatoms or dimers were closely related with match with substrate.关键词
吸附原子/二聚物/分子动力学/静态计算/扩散势垒Key words
adatom/dimer/molecular dynamics simulation/static calculation/diffusion barrier分类
数理科学引用本文复制引用
唐彦雨,李融武..吸附原子及二聚物在Ag（111）和Cu（111）表面上的扩散和解离研究[J].北京师范大学学报：自然科学版,2012,48(6):605-608,4.
