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Single-dislocation ultraviolet light emission 期刊论文
ACTA MATERIALIA, 2023, 卷号: 257, 页码: 9
作者:  Yan, Xuexi;  Jin, Qianqian;  Jiang, Yixiao;  Yao, Tingting;  Wang, Xinwei;  Li, Xiang;  Gao, Chunyang;  Chen, Chunlin;  Ye, Hengqiang;  Ma, Xiu-Liang
收藏  |  浏览/下载：15/0  |  提交时间：2024/01/08
Threading dislocations  Band gap  Transmission electron microscopy  Electron energy-loss spectroscopy  First-principles calculations  Cathodoluminescence  AlN  
On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166
作者:  Zhang, LJ;  Chen, ZY;  Hu, QM;  Yang, R;  Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载：159/0  |  提交时间：2018/06/05
Grain-boundary Segregation  Austenitic Stainless-steel  Total-energy Calculations  Augmented-wave Method  Elastic Band Method  Alloying Elements  Self-diffusion  Impurity Diffusion  1st Principles  Saddle-points  
Creation of Cu2O@TiO2 Composite Photocatalysts with p-n Heterojunctions Formed on Exposed Cu2O Facets, Their Energy Band Alignment Study, and Their Enhanced Photocatalytic Activity under Illumination with Visible Light 期刊论文
Acs Applied Materials & Interfaces, 2015, 卷号: 7, 期号: 3, 页码: 1465-1476
作者:  L. M.;  Yang Liu, W. Y.;  Sun, W. Z.;  Li, Q.;  Shang, J. K.
收藏  |  浏览/下载：151/0  |  提交时间：2015/05/08
Cu2o@tio2 Polyhedra  Exposed Facets  P-n Heterojunctions  Energy Band  Alignment  Visible Light Photocatalytic Activity  Catalytic Memory  Shape Evolution  Porous Nickel  Tio2  Degradation  Crystals  Water  Nanocrystals  Nanostructures  Nanoparticles  
Effect of Re on dislocation nucleation from crack tip in Ni by atomistic simulation 期刊论文
Computational Materials Science, 2015, 卷号: 97, 页码: 127-135
作者:  Z. G. Liu;  C. Y. Wang;  T. Yu
收藏  |  浏览/下载：112/0  |  提交时间：2015/01/14
Dislocation Nucleation  Crack  Molecular Dynamics  Re  Single-crystal Superalloy  Minimum Energy Paths  Elastic Band Method  Saddle-points  Behavior  Activation  
Understanding the Behavior of Native Point Defects in ZrC by First-Principles Calculations 期刊论文
Journal of the American Ceramic Society, 2014, 卷号: 97, 期号: 12, 页码: 4024-4030
作者:  Y. H. Zhang;  J. M. Wang;  B. Liu;  J. Y. Wang;  H. B. Zhang
收藏  |  浏览/下载：119/0  |  提交时间：2015/01/14
Generalized Gradient Approximation  Transition-metal Carbides  Minimum  Energy Paths  Elastic Band Method  Saddle-points  Diffusion  Dynamics  Carbon  Pseudopotentials  Irradiation  
Cross-slip process in model Ni(Al) solid solution: An embedded-atom method study 期刊论文
Computational Materials Science, 2014, 卷号: 91, 页码: 192-199
作者:  J. P. Du;  C. Y. Wang;  T. Yu
收藏  |  浏览/下载：145/0  |  提交时间：2015/01/14
Atomistic Simulations  Embedded-atom Potential  Cross-slip Process  Model Ni(Al) Solid Solution  Elastic Band Method  Screw Dislocation Intersections  Centered-cubic  Nickel  Minimum Energy Paths  Atomistic Simulations  Molecular-dynamics  Lattice-defects  Saddle-points  Fcc Metals  Hydrogen  
The ternary Ni-Al-Co embedded-atom-method potential for gamma/gamma ' Ni-based single-crystal superalloys: Construction and application 期刊论文
Chinese Physics B, 2014, 卷号: 23, 期号: 3
作者:  J. P. Du;  C. Y. Wang;  T. Yu
收藏  |  浏览/下载：207/0  |  提交时间：2014/07/03
Interatomic Interaction Potential  Embedded-atom Method  Ni-based  Single-crystal Superalloys  Misfit Dislocation Networks  Point-defect Properties  Minimum Energy  Paths  Elastic Band Method  Molecular-dynamics  Interatomic Potentials  Saddle-points  Gamma'-phase  Hcp Metals  Cobalt  
Effects of pH of the precursor sol on structural and optical properties of Cu-doped ZnO thin films 期刊论文
Journal of Alloys and Compounds, 2014, 卷号: 616, 页码: 401-407
作者:  H. Yuan;  M. Xu;  Q. Z. Huang
收藏  |  浏览/下载：136/0  |  提交时间：2015/01/14
Zno Films  Sol-gel  Ph  Optical Properties  Room-temperature Ferromagnetism  Zinc-oxide  Gel Method  Nanograined  Films  Energy-gap  Band-gap  Copper  Photoluminescence  Microstructure  Nanoparticles  
Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation 期刊论文
Chinese Physics B, 2014, 卷号: 23, 期号: 11
作者:  Z. G. Liu;  C. Y. Wang;  T. Yu
收藏  |  浏览/下载：101/0  |  提交时间：2015/01/14
Molecular Dynamics  Activation Energy  Stacking Fault Nucleation  Minimum Energy Paths  Elastic Band Method  Saddle-points  Crack-tip  Fracture  
Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO(001) 期刊论文
Journal of Physical Chemistry C, 2013, 卷号: 117, 期号: 14, 页码: 7114-7122
作者:  X. Y. Sun;  B. Li;  H. Metiu
收藏  |  浏览/下载：114/0  |  提交时间：2013/12/24
Evans-polanyi Relation  Minimum Energy Paths  Initio Molecular-dynamics  Transition-metal Surfaces  Oxygen-vacancy Formation  Finding  Saddle-points  Augmented-wave Method  Elastic Band Method  Co Oxidation  Heterogeneous Catalysis