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Rational design of one-dimensional hybrid organic-inorganic perovskites with room-temperature ferroelectricity and strong piezoelectricity 期刊论文
MATERIALS HORIZONS, 2019, 卷号: 6, 期号: 7, 页码: 1463-1473
Authors:  Yang, DB;  Luo, LH;  Gao, Y;  Chen, S;  Zeng, XC
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HIGHLY EFFICIENT  
Iron Clusters Embedded in Graphene Nanocavities: Heat-Induced Structural Evolution and Catalytic C-C Bond Breaking 期刊论文
ACS APPLIED NANO MATERIALS, 2019, 卷号: 2, 期号: 1, 页码: 535—545
Authors:  Chen, S;  Bie, J;  Fa, W;  Zha, YC;  Gao, Y;  Zeng, XC
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METAL  TRANSITION  GROWTH  NANORIBBONS  MEMBRANES  
Assessment of Catalytic Activities of Gold Nanoclusters with Simple Structure Descriptors 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 10, 页码: 9702-9710
Authors:  Xu, HX;  Cheng, DJ;  Gao, Y;  Zeng, XC
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CO OXIDATION  HETEROGENEOUS CATALYSIS  NANOPARTICLE CATALYSTS  COORDINATION NUMBERS  AU NANOPARTICLES  ACTIVE-SITE  CLUSTERS  AU/TIO2  IDENTIFICATION  MECHANISM  
Two-Dimensional AuMX2 (M = Al, Ga, In; X = S, Se) Monolayers Featuring Intracrystalline Aurophilic Interactions with Novel Electronic and Optical Properties 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 19, 页码: 16739-16746
Authors:  Wu, QS;  Xu, WW;  Ma, L;  Wang, JL;  Zeng, XC
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Increase Structural Dimensionality  Metal-metal Interactions  Theoretical Chemistry  Excited-state  Solid-state  Gold  Localization  Shell  Luminescence  Attraction  
The structural isomerism in gold nanoclusters 期刊论文
NANOSCALE, 2018, 卷号: 10, 期号: 20, 页码: 9476-9483
Authors:  Xu, WW;  Zeng, XC;  Gao, Y
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Cis-trans Isomerization  Metal Nanoclusters  Clusters  Nanoparticles  Molecules  Chirality  Size  
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  
Au6S2 monolayer sheets: metallic and semiconducting polymorphs 期刊论文
MATERIALS HORIZONS, 2017, 卷号: 4, 期号: 6, 页码: 1085-1091
Authors:  Wu, QS;  Xu, WW;  Qu, BY;  Ma, L;  Niu, XH;  Wang, JL;  Zeng, XC
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Theoretical Prediction  Global Minimum  Gold  Clusters  Decanuclear  Transformation  Aurophilicity  Nanoparticles  Nanoclusters  Transistors  
Au3(μ3-S)(0e) elementary block: new insights into ligated gold clusters with μ3-sulfido motifs 期刊论文
NANOSCALE, 2017, 卷号: 9, 期号: 26, 页码: 8990-8996
Authors:  Xu, WW;  Zeng, XC;  Gao, Y
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Crystal-structure  Theoretical-analysis  Structure Evolution  Complexes  Pseudopotentials  Transformation  Nanomolecules  Luminescence  Nanoclusters  Fullerene  
Reply to 'On the bonding in ligand-protected gold clusters' 期刊论文
NATURE COMMUNICATIONS, 2017, 卷号: 8, 期号: -, 页码: -
Authors:  Xu, WW;  Zeng, XC;  Gao, Y
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Molecules  Motifs  Block  
Effect of water molecules on nanoscale wetting behaviour of molecular ethanol on hydroxylated SiO2 substrate 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1377-1384
Authors:  Nie, XC;  Chen, JG;  Sheng, N;  Zeng, L;  Yang, HJ;  Wang, CL
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Self-assembled Monolayers  Dynamics Simulations  Mesoporous Silica  Room-temperature  Metal-surfaces  Ordered Water  Force-field  Interfaces  Adsorption  Removal