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A systematic search for the structures, stabilities, and electronic properties of bimetallic Ca-2-doped gold clusters: comparison with pure gold clusters 期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 4, 页码: 1333-1343
作者:  Y. R. Zhao;  X. Y. Kuang;  P. Shao;  C. G. Li;  S. J. Wang;  Y. F. Li
收藏  |  浏览/下载:89/0  |  提交时间:2013/02/05
Ca-au Cluster  Geometric Configuration  Density Functional Theory  Density-functional Theory  Transition-metal Atoms  Ab-initio  Silver  Clusters  Silicon Clusters  N=1-4 Clusters  Basis-sets  Polarizability  Ag  Potentials  
Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M(2)-doped Au(n) (M = Ag, Cu; n=1-10) Clusters: Comparison with Pure Gold Clusters 期刊论文
Journal of Physical Chemistry A, 2011, 卷号: 115, 期号: 5, 页码: 569-576
作者:  Y. R. Zhao;  X. Y. Kuang;  B. B. Zheng;  Y. F. Li;  S. J. Wang
Adobe PDF(3902Kb)  |  收藏  |  浏览/下载:141/0  |  提交时间:2012/04/13
Effective Core Potentials  Transition-metal Atoms  Density-functional  Theory  Photoelectron-spectroscopy  Molecular Calculations  Silver  Clusters  Fluorescence Spectroscopy  Polarizability  Anions  Adsorption  
First-principles study of the interfacial structures of Au/MgO(001) 期刊论文
Physical Review B, 2007, 卷号: 75, 期号: 12
作者:  D. Chen;  X. L. Ma;  Y. M. Wang
收藏  |  浏览/下载:92/0  |  提交时间:2012/04/13
Resolution Electron-microscopy  Transition-metal Atoms  Molecular-dynamics  Ag/mgo(001) Interface  Mgo(001) Surface  Magnesium-oxide  Vacancy Defects  Gold Particles  Mgo  Clusters