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Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 31, 页码: 16803-16810
作者:  Liu, Zhiyang;  Liu, Shi;  Er, Suleyman
收藏  |  浏览/下载：105/0  |  提交时间：2021/02/02
DFT  2D materials  B2S  Li  Molecular hydrogen storage  
Improved reversible dehydrogenation of 2LiBH(4)-MgH2 composite by the controlled formation of transition metal boride 期刊论文
Journal of Materials Chemistry A, 2014, 卷号: 2, 期号: 7, 页码: 2146-2151
作者:  K. K. Wang;  X. D. Kang;  Q. Kang;  Y. J. Zhong;  C. H. Hu;  P. Wang
收藏  |  浏览/下载：116/0  |  提交时间：2014/02/19
Reactive Hydride Composite  Hydrogen-storage-materials  Recent Progress  Libh4  Ti  Borohydrides  Carbon  State  Surface  Mgh2  
Improved reversible dehydrogenation of LiBH4-MgH2 composite by the synergistic effects of Al and MgO 期刊论文
International Journal of Hydrogen Energy, 2014, 卷号: 39, 期号: 5, 页码: 2187-2193
作者:  Y. J. Thong;  X. D. Kang;  K. K. Wang;  P. Wang
收藏  |  浏览/下载：119/0  |  提交时间：2014/04/18
Hydrogen Storage  Lithium Borohydride  Reactive Hydride Composite  Aluminum  Magnesium Oxide  Reactive Hydride Composites  Hydrogen-storage Materials  Lithium  Borohydride  Complex Hydrides  Recent Progress  Ti  Decomposition  Additives  2libh(4)  Kinetics  
A first principles study on the synergistic catalytic mechanism of anion, cation ions in TiF3, TiCl3 catalysts for LiBH4 hydrogen-storage materials 期刊论文
ACTA PHYSICA SINICA, 2014, 卷号: 63, 期号: 24
作者:  Liu GuiLi;  Zhang GuoYing;  Bao JunShan;  Zhang Hui
收藏  |  浏览/下载：116/0  |  提交时间：2021/02/26
1ST-PRINCIPLES  REVERSIBILITY  STABILITY  DEFECTS  LiBH4 hydrogen-storage materials  first principles  synergistic catalytic mechanism  
Extraordinary catalytic effect of Laves phase Cr and Mn alloys on hydrogen dissociation and absorption 期刊论文
International Journal of Hydrogen Energy, 2012, 卷号: 37, 期号: 2, 页码: 1509-1517
作者:  E. D. Wu;  W. H. Li;  J. Li
收藏  |  浏览/下载：95/0  |  提交时间：2013/02/05
Cr And Mn Alloy Catalysts  Hydrogen Dissociation  Hydrogen Storage  Materials  HydrogenAtion At Ambient Pressure And temperAture  Desorption-kinetics  Storage Alloys  Adsorption  Surface  Chemisorption  Hydride  Energy  Carbon  
Double layers of H-2 adsorption on an AlN sheet induced by electric field 期刊论文
Journal of Nanoparticle Research, 2012, 卷号: 14, 期号: 11
作者:  W. J. Yang;  R. Z. Huang;  L. Liu;  L. F. Wang;  R. J. Zhang;  Y. X. Zheng;  Y. M. Wang
收藏  |  浏览/下载：111/0  |  提交时间：2013/02/05
Hydrogen Storage  Electric Field Polarization  Molecule Adsorption  Diffusion Barrier  Generalized Gradient Approximation  Hydrogen-storage Materials  Aluminum  Hydrides  Molecules  Energy  Efficient  Binding  Points  Solids  
Structural, thermodynamic, electronic, and optical properties of NaH from first-principles calculations 期刊论文
Materials Chemistry and Physics, 2012, 卷号: 133, 期号: 1, 页码: 346-355
作者:  X. W. Sun;  L. C. Cai;  Q. F. Chen;  X. R. Chen;  F. Q. Jing
收藏  |  浏览/下载：120/0  |  提交时间：2013/02/05
Ab Initio Calculations  Thermodynamic Properties  Band Structure  Optical Properties  Alkali-metal Hydrides  Inelastic Neutron-scattering  Hydrogen Storage  Materials  High-pressure  Aluminum Hydrides  Phase-transitions  Quasi-particle  Solids  Model  Approximation  
Mechanism of the influence of the interaction between interstitial H atom and doped atom on the dehydrogenation performance of LiNH2 期刊论文
ACTA PHYSICA SINICA, 2011, 卷号: 60, 期号: 11, 页码: 5
作者:  Lu Guang-Xia;  Zhang Hui;  Zhang Guo-Ying;  Liang Ting;  Li Dan;  Zhu Sheng-Long
收藏  |  浏览/下载：99/0  |  提交时间：2021/02/02
hydrogen storage materials  first-principles calculation  defect  dehydrogenation mechanics  
First-principles study on influence of alloying element substitution on dehydrogenation ability of Li-4 BN3 H-10 hydrogen storage materials 期刊论文
ACTA PHYSICA SINICA, 2011, 卷号: 60, 期号: 4, 页码: 6
作者:  Zhang Hui;  Zhang Guo-Ying;  Xiao Ming-Zhu;  Lu Guang-Xia;  Zhu Sheng-Long;  Zhang Ke
收藏  |  浏览/下载：120/0  |  提交时间：2021/02/02
hydrogen storage materials  first-principles calculation  element substitution  dehydrogenation  
First-principles study on influence of alloying element substitution on dehydrogenation ability of Li(4) BN(3) H(10) hydrogen storage materials 期刊论文
Acta Physica Sinica, 2011, 卷号: 60, 期号: 4
作者:  H. Zhang;  G. Y. Zhang;  M. Z. Xiao;  G. X. Lu;  S. L. Zhu;  K. Zhang
收藏  |  浏览/下载：86/0  |  提交时间：2012/04/13
Hydrogen Storage Materials  First-principles Calculation  Element  Substitution  Dehydrogenation  Linh2