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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：102/0  |  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：122/0  |  提交时间：2021/02/02
hydrogen storage materials  first-principles calculation  element substitution  dehydrogenation  
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：132/0  |  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：115/0  |  提交时间：2021/02/02
LiNH2  first-principles calculation  dehydrogenating properties  Ti catalytic mechanism  
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：87/0  |  提交时间：2021/02/02
LiNH2 hydrogen storage material  density functional theory  substitution behavior  dehydrogenating properties