LaNi_5储氢材料中储氢状态的理论研究  

THEORETICAL STUDY ON STATE OF STORAGE HYDROGEN IN HYDROGEN STORAGE MATERIAL LaNi_5

作　　者：袁满雪[1] 韩剑文 赖城明[1] 

机构地区：[1]南开大学化学系,天津300071

出　　处：《南开大学学报（自然科学版）》1998年第1期84-89,共6页Acta Scientiarum Naturalium Universitatis Nankaiensis

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．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.

关 键 词：LANI5 储氢 EHMO 储氢合金 

分 类 号：TG139.7[一般工业技术—材料科学与工程]