| AU(603) and AU(675) Cluster Structures with (100) Facets Supported on MgO(010) Surfaces | |
| L. Zhang; S. Q. Wang | |
| 2010 | |
| Source Publication | Journal of Nanoscience and Nanotechnology
 |
| ISSN | 1533-4880 |
| Volume | 10Issue:11Pages:7820-7823 |
| Abstract | 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. |
| description.department | [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 |
| Keyword | 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 ID | WOS:000283621300190 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/31711 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation 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. |
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