Small Pd clusters, up to the tetramer at least, are highly mobile on the MgO(100) surface -: art. no. 146103

被引:80
作者
Xu, LJ [1 ]
Henkelman, G
Campbell, CT
Jónsson, H
机构
[1] Univ Washington, Dept Chem 351700, Seattle, WA 98195 USA
[2] Univ Texas, Dept Chem & Biochem, Austin, TX 78712 USA
[3] Univ Iceland, Fac Sci, IS-107 Reykjavik, Iceland
关键词
D O I
10.1103/PhysRevLett.95.146103
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Density functional theory calculations predict that small clusters of Pd atoms, containing up to at least four atoms, are highly mobile on the MgO(100) surface with the tetramer having the largest diffusion rate at room temperature-larger than the monomer. Surface vacancies are found, however, to bind the larger clusters strongly enough to trap them. These are important considerations when analyzing the growth and sintering of metal islands on oxide surfaces, in particular, the role of point defects.
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页数:4
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