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The role of vacancy, impurity, impurity-vacancy complex in the kinetics of LiNH2 complex hydrides: a first-principles study 期刊论文
CHINESE PHYSICS B, 2011, 卷号: 20, 期号: 3, 页码: 6
作者:  Liu Gui-Li;  Zhang Guo-Ying;  Zhang Hui;  Zhu Sheng-Long
收藏  |  浏览/下载:106/0  |  提交时间:2021/02/02
LiNH2  first-principles calculation  impurity-vacancy complexes  dehydrogenating properties  
The role of vacancy, impurity, impurity-vacancy complex in the kinetics of LiNH(2) complex hydrides: a first-principles study 期刊论文
Chinese Physics B, 2011, 卷号: 20, 期号: 3
作者:  G. L. Liu;  G. Y. Zhang;  H. Zhang;  S. L. Zhu
Adobe PDF(677Kb)  |  收藏  |  浏览/下载:89/0  |  提交时间:2012/04/13
Linh(2)  First-principles Calculation  Impurity-vacancy Complexes  Dehydrogenating Properties  Hydrogen Storage  Nitrides  
A first-principles study of the catalytic mechanism of the dehydriding reaction of LiNH2 through adding Ti catalysts 期刊论文
CHINESE PHYSICS B, 2010, 卷号: 19, 期号: 4, 页码: 6
作者:  Zhang Hui;  Liu Gui-Li;  Qi Ke-Zhen;  Zhang Guo-Ying;  Xiao Ming-Zhu;  Zhu Sheng-Long
收藏  |  浏览/下载:129/0  |  提交时间:2021/02/02
LiNH2  first-principles calculation  dehydrogenating properties  Ti catalytic mechanism  
A first-principles study of the catalytic mechanism of the dehydriding reaction of LiNH2 through adding Ti catalysts 期刊论文
CHINESE PHYSICS B, 2010, 卷号: 19, 期号: 4, 页码: 6
作者:  Zhang Hui;  Liu Gui-Li;  Qi Ke-Zhen;  Zhang Guo-Ying;  Xiao Ming-Zhu;  Zhu Sheng-Long
收藏  |  浏览/下载:114/0  |  提交时间:2021/02/02
LiNH2  first-principles calculation  dehydrogenating properties  Ti catalytic mechanism  
A first-principles study of the catalytic mechanism of the dehydriding reaction of LiNH(2) through adding Ti catalysts 期刊论文
Chinese Physics B, 2010, 卷号: 19, 期号: 4
作者:  H. Zhang;  G. L. Liu;  K. Z. Qi;  G. Y. Zhang;  M. Z. Xiao;  S. L. Zhu
Adobe PDF(598Kb)  |  收藏  |  浏览/下载:95/0  |  提交时间:2012/04/13
Linh(2)  First-principles Calculation  Dehydrogenating Properties  Ti  Catalytic Mechanism  Density-functional Theory  Hydrogen Storage Properties  Destabilization  Clusters  Nitride  
First-principles study on the influence of component element substitution on the dehydrogenation ability of LiNH2 hydrogen storage materials 期刊论文
ACTA PHYSICA SINICA, 2009, 卷号: 58, 期号: 11, 页码: 8077-8082
作者:  Zhang Hui;  Qi Ke-Zhen;  Zhang Guo-Ying;  Wu Di;  Zhu Sheng-Long
收藏  |  浏览/下载:85/0  |  提交时间:2021/02/02
LiNH2 hydrogen storage material  density functional theory  substitution behavior  dehydrogenating properties  
First-principles study on the influence of component element substitution on the dehydrogenation ability of LiNH(2) hydrogen storage materials 期刊论文
Acta Physica Sinica, 2009, 卷号: 58, 期号: 11, 页码: 8077-8082
作者:  H. Zhang;  K. Z. Qi;  G. Y. Zhang;  D. Wu;  S. L. Zhu
Adobe PDF(250Kb)  |  收藏  |  浏览/下载:96/0  |  提交时间:2012/04/13
Linh(2) Hydrogen Storage Material  Density Functional Theory  Substitution Behavior  Dehydrogenating Properties  N-h System  Functionals