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Ab initio calculation of the geometric, electronic and magnetic properties of neutral and anionic Au(n)Pd (n=1-9) clusters 期刊论文
Molecular Physics, 2011, 卷号: 109, 期号: 11, 页码: 1485-1494
作者:  M. Ai-Jie;  K. Xiao-Yu;  C. Gang;  Z. Ya-Ru;  L. Yan-Fang;  L. Peng;  Z. Chi
Adobe PDF(1380Kb)  |  收藏  |  浏览/下载:93/0  |  提交时间:2012/04/13
Neutral And Anionic Au(n)Pd Clusters  Geometrical Configuration  Density  Function Method  Generalized Gradient Approximation  Photoelectron-spectroscopy  Palladium Clusters  Gold Nanoclusters  Metal-clusters  Exchange  Nanoparticles  Molecules  Chemistry  Au-n(-)  
Optical spectrum, local lattice structure and EPR g factors for Cr(3+) impurity ions in MgTiO(3) and LiTaO(3) 期刊论文
Physica B-Condensed Matter, 2008, 卷号: 403, 期号: 18, 页码: 3114-3118
作者:  Z. Cai-Xia;  K. Xiao-Yu;  M. Ai-Jie;  W. Hui
Adobe PDF(199Kb)  |  收藏  |  浏览/下载:74/0  |  提交时间:2012/04/13
(Cro(6))(9-)Clusters  Local Structures  Epr g Factors  Epr And Optical  Spectra  Orbit Reduction Factor k  Mechanical Activation  X-ray  Crystals  Parameters  Centers  Temperature  Diffraction  Titanate  Powders  Ruby  
Investigation of the EPR and local defect structures for (FeO(6))(9-) and (MnO(6))(10-) clusters in TiO(2) crystal at different temperature 期刊论文
Chemical Physics Letters, 2008, 卷号: 461, 期号: 1-3, 页码: 160-163
作者:  L. Ying;  K. Xiao-Yu;  L. Hui-Li;  M. Ai-Jie;  T. Li-Juan
Adobe PDF(225Kb)  |  收藏  |  浏览/下载:60/0  |  提交时间:2012/04/13
Thin-films  Optical-properties  Titanium-dioxide  Anatase Tio2  Spectra  Ions  Fe3++  Ferromagnetism  Photocatalysts  Coordination  
Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra 期刊论文
Journal of Physical Chemistry A, Journal of Physical Chemistry A, 2008, 2008, 卷号: 112, 112, 期号: 4, 页码: 737-743, 737-743
作者:  K. Xiao-Yu;  M. Ai-Jie;  W. Hui
Adobe PDF(146Kb)  |  收藏  |  浏览/下载:54/0  |  提交时间:2012/04/13
Electron-paramagnetic-resonance  Electron-paramagnetic-resonance  Superposition-model Analysis  Superposition-model Analysis  Phase-transitions  Phase-transitions  Cubic Field  Cubic Field  Cr-3++ Ions  Cr-3++ Ions  Symmetry  Symmetry  Ruby  Ruby  Fluorescence  Fluorescence  Centers  Centers  Alpha-liio3  Alpha-liio3