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Density-functional theory study of structures, stabilities, and electronic properties of the Cu-2-doped silicon clusters: Comparison with pure silicon clusters 期刊论文
Physica B-Condensed Matter, 2012, 卷号: 407, 期号: 21, 页码: 4379-4386
作者:  P. Shao;  X. Y. Kuang;  L. P. Ding;  M. M. Zhong;  Z. H. Wang
收藏  |  浏览/下载:112/0  |  提交时间:2013/02/05
Density Functional Theory  Cu-si Cluster  Geometric Configuration  Laser-absorption Spectroscopy  Flight Mass-spectroscopy  Supersonic  Molecular-beam  Doped Germanium Clusters  Si Cage Clusters  Copper  Silicides  Geometries  
Density functional study on size-dependent structures, stabilities, electronic and magnetic properties of AunM (M=Al and Si, n=1-9) clusters: comparison with pure gold clusters 期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 7, 页码: 3061-3072
作者:  Y. F. Li;  A. J. Mao;  Y. Li;  X. Y. Kuang
收藏  |  浏览/下载:109/0  |  提交时间:2013/02/05
Cluster  Density Functional Theory  Electronic Property  Geometric  Configuration  Relative Stability  Nanoclusters  Spectroscopy  Geometries  Oxidation  Energies  Cations  Silver  Co  
Determination of Structures, Stabilities, and Electronic Properties for Bimetallic Cesium-Doped Gold Clusters: A Density Functional Theory Study 期刊论文
Journal of Physical Chemistry A, 2011, 卷号: 115, 期号: 33, 页码: 9273-9281
作者:  C. Lu;  X. Y. Kuang;  Z. W. Lu;  A. J. Mao;  Y. M. Ma
Adobe PDF(977Kb)  |  收藏  |  浏览/下载:98/0  |  提交时间:2012/04/13
Effective Core Potentials  Ab-initio  Molecular Calculations  Silver  Clusters  Csau  Transition  Geometries  Hydrogen  Auride  Au  
Predicting size effect on diffusion-limited current density of oxygen reduction by copper wire 期刊论文
Chinese Journal of Oceanology and Limnology, 2011, 卷号: 29, 期号: 1, 页码: 75-79
作者:  Y. H. Lu;  H. B. Xu;  J. Wang;  L. A. Zhong
Adobe PDF(388Kb)  |  收藏  |  浏览/下载:99/0  |  提交时间:2012/04/13
Marine Engineering  Corrosion  Non-linear Diffusion  Oxygen Reduction  Reaction  Copper Wire  Corrosion Inhibition  Alloy 2024-t3  Impedance  Microelectrodes  Aluminum  Geometries  Acid  Nacl