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Experimental and computational investigations of LaNi5-xAlx (x=0, 0.25, 0.5, 0.75 and 1.0) tritium-storage alloys 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 9, 页码: 1699-1712
Authors:  Liu, GL;  Chen, DM;  Wang, YM;  Yang, K
Favorite  |  View/Download:2/0  |  Submit date:2018/12/25
Hydrogen isotope storage material  Electron structure calculation  Thermodynamic property calculation  
Inversion domain boundaries in MoSe2 layers 期刊论文
RSC ADVANCES, 2018, 卷号: 8, 期号: 58, 页码: 33391-33397
Authors:  Truong, QD;  Hung, NT;  Nakayasu, Y;  Nayuki, K;  Sasaki, Y;  Kempaiah, DM;  Yin, LC;  Tomai, T;  Saito, R;  Honma, I
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Photocatalytic hydrogen production over Aurivillius compound Bi3TiNbO9 and its modifications by Cr/Nb co-doping 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2017, 卷号: 217, 页码: 342-352
Authors:  Jiang, Lu;  Ni, Shuang;  Liu, Gang;  Xu, Xiaoxiang;  Xu, XX (reprint author), Tongji Univ, Shanghai Key Lab Chem Assessment & Sustainabil, Sch Chem Sci & Engn, 1239 Siping Rd, Shanghai 200092, Peoples R China.
Favorite  |  View/Download:106/0  |  Submit date:2017/08/17
Bi3tinbo9  Cr/nb Co-doping  Hydrogen Production  Photocatalysis  Dft Calculation  
Molybdenum Carbide Modified Nanocarbon Catalysts for Alkane Dehydrogenation Reactions 期刊论文
AMER CHEMICAL SOC, 2017, 卷号: 7, 期号: 9, 页码: 5820-5827
Authors:  Liu, Wei;  Chen, Bingxu;  Duan, Xuezhi;  Wu, Kuang-Hsu;  Qi, Wei;  Guo, Xiaoling;  Zhang, Bingsen;  Su, Dangsheng;  Qi, W;  Su, DS (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.;  Su, DS (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
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Nanocarbon  Molybdenum Carbide  C-h Bond Activation  Dehydrogenation  Hybrid Catalysts  
Efficient photocatalytic hydrogen production over solid solutions Sr1-xBixTi1-xFexO3 (0 <= x <= 0.5) 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2017, 卷号: 200, 页码: 412-419
Authors:  Lu, Lingwei;  Lv, Meilin;  Wang, Di;  Liu, Gang;  Xu, Xiaoxiang;  Xu, XX (reprint author), Tongji Univ, Dept Chem, Shanghai Key Lab Chem Assessment & Sustainabil, 1239 Siping Rd, Shanghai 200092, Peoples R China.
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Solid Solution  Srtio3  Photocatalytst  Water Splitting  Dft Calculation  
Catalytic Epoxidation Reaction over N-Containing sp(2) Carbon Catalysts 期刊论文
Acs Catalysis, 2014, 卷号: 4, 期号: 5, 页码: 1261-1266
Authors:  W. J. Li;  Y. J. Gao;  W. L. Chen;  P. Tang;  W. Z. Li;  Z. J. Shi;  D. S. Su;  J. G. Wang;  D. Ma
Favorite  |  View/Download:136/0  |  Submit date:2014/07/03
Nitrogen-doped Graphene  Carbon Catalyst  Trans-stilbene  Epoxidation  Dft Calculation  Hydrogen-peroxide  Oxidative Dehydrogenation  Selective Oxidation  Nitride Polymers  Graphene Oxide  Active-sites  Doped Carbon  Styrene  Boron  Nanotubes  
Evolution of the structure and electronic properties of neutral and anion FeSn mu (n=1-7, mu=0,-1) clusters: A comprehensive analysis 期刊论文
Journal of Alloys and Compounds, 2013, 卷号: 573, 页码: 133-141
Authors:  L. P. Ding;  X. Y. Kuang;  P. Shao;  M. M. Zhong
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Density Functional Theory  Photoelectron Spectroscopy  Fe-s Clusters  Structural And Electronic Properties  Density-functional Theory  Iron-sulfur Clusters  Photoelectron-spectroscopy  Angstrom Resolution  Correlation-energy  Transition-metals  Crystal-structure  Dft Calculations  Ferredoxin-i  Spectra  
Thermoelastic parameter alpha K-T of sodium chloride at high pressure and high temperature 期刊论文
Journal of Physics and Chemistry of Solids, 2012, 卷号: 73, 期号: 8, 页码: 992-998
Authors:  X. W. Sun;  X. R. Chen;  J. Zhu;  Q. F. Chen;  L. C. Cai;  F. Q. Jing
Favorite  |  View/Download:254/0  |  Submit date:2013/02/05
Inorganic Compounds  Ab Initio Calculations  High Pressure  Thermodynamic Properties  Molecular-dynamics Simulation  Density-functional Theory  Equation-of-state  Alkali-halides  Thermodynamic Properties  Elevated-temperatures  Thermal Expansivity  Bulk Modulus  Ionic Solids  Nacl  
First Principles Calculations of the Electronic Structure of ZrN Allotropes 期刊论文
Journal of the Physical Society of Japan, 2011, 卷号: 80, 期号: 11
Authors:  L. C. Yin;  R. Saito
Favorite  |  View/Download:318/0  |  Submit date:2012/04/13
Zrn  Monolayer  Density Functional Theory  Van Hove Singularity  Superconductivity  Brillouin-zone Integrations  Walled Carbon Nanotubes  Augmented-wave  Method  Charge-density  Optical-properties  Hafnium Nitride  Superconductivity  Decomposition  Temperature  Zirconium  
Surface properties of 3d transition metals 期刊论文
Philosophical Magazine, 2011, 卷号: 91, 期号: 27, 页码: 3627-3640
Authors:  M. P. J. Punkkinen;  Q. M. Hu;  S. K. Kwon;  B. Johansson;  J. Kollar;  L. Vitos
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Surface Relaxation  Surface Energy  Surface Stress  Magnetic Transition  Metals  Density Functional Theory  Full Charge-density  Initio Molecular-dynamics  Total-energy  Calculations  Augmented-wave Method  Ab-initio  Electronic-structure  Atomic Volume  Work Function  Basis-set  Relaxation