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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：100/0  |  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  
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：105/0  |  提交时间：2021/02/02
LiNH2  first-principles calculation  impurity-vacancy complexes  dehydrogenating properties