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Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: a computational account 期刊论文
CHEMICAL COMMUNICATIONS, 2018, 卷号: 54, 期号: 8, 页码: 864-875
作者:  Sun, XY;  Han, P;  Li, B;  Mao, SJ;  Liu, TF;  Ali, S;  Lian, Z;  Su, DS;  Su, DS (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：122/0  |  提交时间：2018/06/05
h Bond Activation  Initio Molecular-dynamics  Density-functional Theory  Vanadium-oxide Catalysts  Metal-free Catalysts  Nitric-acid  Mediated Catalysis  Oxygen-adsorption  Styrene Synthesis  1st Principles  
First-principles studies of hydrogen behavior interacting with oxygen-enriched nanostructured particles in the ODS steels 期刊论文
International Journal of Hydrogen Energy, 2014, 卷号: 39, 期号: 32, 页码: 18506-18519
作者:  W. W. Xing;  X. Q. Chen;  P. T. Liu;  X. Wang;  P. C. Zhang;  D. Z. Li;  Y. Y. Li
收藏  |  浏览/下载：113/0  |  提交时间：2015/01/14
Ods Steels  Nanocluster  Oxygen-vacancy  Hydrogen Cluster  First-principles Calculation  Dispersion-strengthened Steels  Enhanced Localized Plasticity  Brillouin-zone Integrations  Initio Molecular-dynamics  Total-energy  Calculations  Augmented-wave Method  Oxide Particles  Ferritic Alloys  Electronic-structure  Delayed-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  
Highly Efficient Dehydrogenation of Primary Aliphatic Alcohols Catalyzed by Cu Nanoparticles Dispersed on Rod-Shaped La2O2CO3 期刊论文
Acs Catalysis, 2013, 卷号: 3, 期号: 5, 页码: 890-894
作者:  F. Wang;  R. J. Shi;  Z. Q. Liu;  P. J. Shang;  X. Pang;  S. Shen;  Z. C. Feng;  C. Li;  W. J. Shen
收藏  |  浏览/下载：166/0  |  提交时间：2013/12/24
Heterogeneous Catalysis  Dehydrogenation  Primary Aliphatic Alcohol  Reaction Coupling  Cu/la2o2co3 Catalyst  Crystal-facet Selective  Deposition  Active Nanoenvironmental  Oxidant-free Dehydrogenation  Environmentally Benign Oxidation  Aerobic  Oxidation  Heterogeneous Catalyst  Selective Oxidation  Supported  Palladium  Gold Nanoparticles  Molecular-oxygen  Hydrotalcite  Sites  
Microstructure tuning of epitaxial BaTiO3 (-) (x) thin films grown using laser molecular-beam epitaxy by varying the oxygen pressure 期刊论文
THIN SOLID FILMS, 2010, 卷号: 518, 期号: 14, 页码: 3669-3673
作者:  Zhu, Y. L.;  Zheng, S. J.;  Chen, D.;  Ma, X. L.
收藏  |  浏览/下载：97/0  |  提交时间：2021/02/02
BaTiO3-x, oxides  Thin films, oxygen pressure, {111} twins, microstructure  X-ray diffraction  Laser molecular beam epitaxy  Transmission electron microscopy  
Microstructure tuning of epitaxial BaTiO(3) (-) (x) thin films grown using laser molecular-beam epitaxy by varying the oxygen pressure 期刊论文
Thin Solid Films, 2010, 卷号: 518, 期号: 14, 页码: 3669-3673
作者:  Y. L. Zhu;  S. J. Zheng;  D. Chen;  X. L. Ma
Adobe PDF(964Kb)  |  收藏  |  浏览/下载：95/0  |  提交时间：2012/04/13
Batio(3-x)  Thin Films  Oxides  Oxygen Pressure  {111} Twins  Microstructure  X-ray Diffraction  Laser Molecular Beam Epitaxy  Transmission Electron Microscopy  111 Twin-boundary  Transport-properties  Misfit Relaxation  Srtio3  Stoichiometry  Perovskites  Interface  Mgo  
Simply air: Vanadium-catalyzed oxidative kinetic resolution of methyl o-chloromandelate by ambient air 期刊论文
CHINESE CHEMICAL LETTERS, 2010, 卷号: 21, 期号: 7, 页码: 774-777
作者:  Yin Lu;  Jia Xian;  Li Xing Shu;  Chan Albert S C
收藏  |  浏览/下载：128/0  |  提交时间：2021/02/02
RACEMIC SECONDARY ALCOHOLS  RECOMBINANT ESCHERICHIA-COLI  CHIRAL NHC-PD(II) COMPLEXES  ALPHA-HYDROXY ESTERS  AEROBIC OXIDATION  MOLECULAR-OXYGEN  SALEN COMPLEXES  (R)-O-CHLOROMANDELATE  (-)-SPARTEINE  MODEL  Ambient air  Vanadium-catalyzed  OKR  Methyl o-chloromandelate  Schiff base ligands  
Microstructural characteristics in the BaTiO2.52 thin films showing metallic behavior 期刊论文
Materials Letters, 2007, 卷号: 61, 期号: 10, 页码: 1971-1973
作者:  Y. L. Zhu;  M. J. Zhuo;  X. L. Ma;  H. B. Lu
收藏  |  浏览/下载：123/0  |  提交时间：2012/04/13
Microstructure  Batio3-x Thin Films  Oxygen Deficiency  Molecular-beam-epitaxy  Transport-properties  Misfit Relaxation  Barium-titanate  111 Twins  Growth  Srtio3  Perovskites  Deposition  
Identifying an O-2 supply pathway in CO oxidation on Au/TiO2(110): A density functional theory study on the intrinsic role of water 期刊论文
Journal of the American Chemical Society, 2006, 卷号: 128, 期号: 12, 页码: 4017-4022
作者:  L. M. Liu;  B. McAllister;  H. Q. Ye;  P. Hu
收藏  |  浏览/下载：86/0  |  提交时间：2012/04/13
Catalytically Active Gold  Au Nanoparticles  Tio2(110) Surface  Molecular-oxygen  Model Catalysts  Adsorption  Clusters  Size  Dissociation  Titania  
First-principles studies of the adsorption of O(2)on Al (001) 期刊论文
Chinese Science Bulletin, 2004, 卷号: 49, 期号: 16, 页码: 1768-1771
作者:  F. Y. Zhang;  S. G. Zhu;  Y. Y. Teng
收藏  |  浏览/下载：74/0  |  提交时间：2012/04/14
First-principles  Supercelt  Oxygen Molecule  Adsorption  Morphology  Electronic-structure  Molecular-dynamics  Al(111)  Oxygen  Surface  Temperatures  Oxidation  Aluminum