| LaNi5储氢材料中储氢状态的理论研究 |
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| 引用本文： | 袁满雪,乾剑文.LaNi5储氢材料中储氢状态的理论研究[J].南开大学学报,1998,31(1):84-89. |
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| 作者姓名： | 袁满雪 乾剑文 |
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| 作者单位： | 南开大学化学系!天津300071 |
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| 摘 要： | 根据氢在储氢合金晶格空隙中的分布和状态，应用包含排斥项在内的ＩＣＯＮＣＬ（ＥＨＭＯ）计算，研究了ＬａＮｉ５体系的储氢结构，与实验结果基本符合。
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| 关 键 词： | LaNi5 储氢 EHMO 储氢合金 |
THEORETICAL STUDY ON STATE OF STORAGE HYDROGEN IN HYDROGEN STORAGE MATERIAL LaNi_5 |
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| Yuan Manxue, Han Jianwen, Lai Chengming.THEORETICAL STUDY ON STATE OF STORAGE HYDROGEN IN HYDROGEN STORAGE MATERIAL LaNi_5[J].Acta Scientiarum Naturalium University Nankaiensis,1998,31(1):84-89. |
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| Authors: | Yuan Manxue Han Jianwen Lai Chengming |
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| Abstract: | In this paper, we have studied on the structure of storage hydrogen in hydrogen storage material LaNi5 by consideration of the distribution of hydrogen in the interstices in lattice of this material and by means of ICONCL(EHMO) calculation containing the repulsin terms. The results which were obtained in above are elementary in accord with experiment data. |
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| Keywords: | LaNi_5 hydrogen storage EHMO |
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