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Application of Electronic Counting Rules for Ligand-Protected Gold Nanoclusters 期刊论文
ACCOUNTS OF CHEMICAL RESEARCH, 2018, 卷号: 51, 期号: 11, 页码: 2739-2747
Authors:  Xu, WW;  Zeng, XC;  Gao, Y
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STRUCTURAL-CHARACTERIZATION  STRUCTURE PREDICTION  CRYSTAL-STRUCTURE  CLUSTERS  METAL  NANOPARTICLES  EVOLUTION  SIZE  NANOMOLECULES  AU-38  
Medium-sized Au-40(SR)(24) and Au-52(SR)(32) nanoclusters with distinct gold-kernel structures and spectroscopic features 期刊论文
NANOSCALE, 2016, 卷号: 8, 期号: 3, 页码: 1299—1304
Authors:  Xu, WW;  Li, YD;  Gao, Y;  Zeng, XC;  Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water, Shanghai 201800, Peoples R China.
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Thiolate-protected Au-38  Theoretical-analysis  Crystal-structure  Co Oxidation  Optical-properties  Structure Prediction  Magic Size  Clusters  Nanoparticles  Molecules  
Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters 期刊论文
NANOSCALE, 2016, 卷号: 8, 期号: 14, 页码: 7396—7401
Authors:  Xu, WW;  Li, YD;  Gao, Y;  Zeng, XC;  Gao, Y (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Interfacial Water & Key Lab Interfacial Phys, Shanghai 201800, Peoples R China.;  Gao, Y (reprint author), Chinese Acad Sci, Shanghai Sci Res Ctr, Shanghai 201204, Peoples R China.;  Zeng, XC (reprint author), Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA.;  Zeng, XC (reprint author), Univ Sci & Technol China, Collaborat Innovat Ctr Chem Energy Mat, Hefei 230026, Anhui, Peoples R China.
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X-ray Crystallography  Theoretical-analysis  Crystal-structure  Optical-properties  Structure Prediction  Magic Size  Nanoparticles  Cluster  Au-25  1st-principles  
A new phase of ThC at high pressure predicted from a first-principles study 期刊论文
PHYSICS LETTERS A, 2015, 卷号: 379, 期号: 26-27, 页码: 1607—1611
Authors:  Guo, YL;  Qiu, WJ;  Ke, XZ;  Huai, P;  Cheng, C;  Han, H;  Ren, CL;  Zhu, ZY
View  |  Adobe PDF(634Kb)  |  Favorite  |  View/Download:128/46  |  Submit date:2015/12/09
Crystal-structure Prediction  Total-energy Calculations  Thorium Monocarbide Thc  Augmented-wave Method  Equation-of-state  Ab-initio  Basis-set  Carbide  Transitions  Principles