AU(603) and AU(675) Cluster Structures with (100) Facets Supported on MgO(010) Surfaces

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	AU(603) and AU(675) Cluster Structures with (100) Facets Supported on MgO(010) Surfaces
	L. Zhang; S. Q. Wang
	2010
发表期刊	Journal of Nanoscience and Nanotechnology
ISSN	1533-4880
卷号	10 期号:11 页码:7820-7823
摘要	Structural changes of Au clusters respectively containing 603 and 675 atoms with their (100) facts supported on MgO(010) surfaces at 5 K have been investigated by molecular-dynamics simulations on the atomic interchange potentials of the metal/MgO interface, which parameters are from the Ab initio energies using Chen-Mobius inversion method. As the interaction time evolves, the structural changes accompanying with atom movements are determined by decomposing peaks of pair distribution functions (PDFs) according to the pair analysis (PA) technique, and local structure patterns are identified for the supported clusters. It is shown that there exist deformation processes of the two Au clusters to adjust their atom distances owing to atom misfits among the clusters and the MgO support. Concerning these supported clusters, the obtained results reveal how the cluster size and the interaction affect the structural changes in the interaction between the supported cluster and the MgO support.
部门归属	[zhang, lin] northeastern univ, coll sci, inst mat phys & chem, shenyang 110004, peoples r china. [wang, shaoqing] chinese acad shenyang, inst met res, shenyang natl lab mat sci, shenyang 1100016, peoples r china.;zhang, l (reprint author), northeastern univ, coll sci, inst mat phys & chem, shenyang 110004, peoples r china
关键词	Cluster Molecular Dynamics Computer Simulation Surface Nanostructure Molecular-dynamics Mgo(001) Surface Au Atoms Adsorption Dimers Mgo(100) Models Dft
URL	查看原文
WOS记录号	WOS:000283621300190
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31711
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. Zhang,S. Q. Wang. AU(603) and AU(675) Cluster Structures with (100) Facets Supported on MgO(010) Surfaces[J]. Journal of Nanoscience and Nanotechnology,2010,10(11):7820-7823.
APA	L. Zhang,&S. Q. Wang.(2010).AU(603) and AU(675) Cluster Structures with (100) Facets Supported on MgO(010) Surfaces.Journal of Nanoscience and Nanotechnology,10(11),7820-7823.
MLA	L. Zhang,et al."AU(603) and AU(675) Cluster Structures with (100) Facets Supported on MgO(010) Surfaces".Journal of Nanoscience and Nanotechnology 10.11(2010):7820-7823.