AU(603) and AU(675) Cluster Structures with (100) Facets Supported on MgO(010) Surfaces
文献类型：期刊论文
| 作者 | L. Zhang ; S. Q. Wang |
| 刊名 | Journal of Nanoscience and Nanotechnology
 |
| 出版日期 | 2010 |
| 卷号 | 10期号:11页码:7820-7823 |
| 关键词 | Cluster Molecular Dynamics Computer Simulation Surface Nanostructure molecular-dynamics mgo(001) surface au atoms adsorption dimers mgo(100) models dft |
| ISSN号 | 1533-4880 |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/31711]  |
| 专题 | 金属研究所_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. |
入库方式： OAI收割
来源：金属研究所
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