Effect of the variation in the composition on the adsorption and desorption performance for the Zr(V(x)Ni(1-x))(2+alpha) (0 <= x <= 1; 0 <= alpha <= 1) family of alloys

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	Effect of the variation in the composition on the adsorption and desorption performance for the Zr(V(x)Ni(1-x))(2+alpha) (0 <= x <= 1; 0 <= alpha <= 1) family of alloys
	R. Z. Huang; Y. M. Wang
	2008
发表期刊	Physica Status Solidi a-Applications and Materials Science
ISSN	1862-6300
卷号	205 期号:5 页码:1132-1138
摘要	We have performed first-principles calculations of cubic C15-type Laves phase Zr(V(x)Ni(1-x))(2+alpha) (0 <= x <= 1; 0 <= alpha <= 1) alloys to understand their hydrogen storage properties. Our calculations have shown that hydrogen atoms tend to occupy 2A2B sites for these alloys. It has been found that hydrogen desorption performance for these alloys can be improved by the partial substitution of Ni for V and the partial substitution of V for Zr, which agrees with experimental results. The effect of the variation in the compositions of these alloys on the hydride formation energy is revealed.
部门归属	[huang, r. z.; wang, y. m.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang, peoples r china.;huang, rz (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang, peoples r china;hwangrz@googlemail.com
关键词	Reversible Hydrogen Storage Active Electrode Material Electrochemical Properties Metal Hydride Laves Phase Alkaline Electrolyte System Substitution Stability Surface
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32832
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	R. Z. Huang,Y. M. Wang. Effect of the variation in the composition on the adsorption and desorption performance for the Zr(V(x)Ni(1-x))(2+alpha) (0 <= x <= 1; 0 <= alpha <= 1) family of alloys[J]. Physica Status Solidi a-Applications and Materials Science,2008,205(5):1132-1138.
APA	R. Z. Huang,&Y. M. Wang.(2008).Effect of the variation in the composition on the adsorption and desorption performance for the Zr(V(x)Ni(1-x))(2+alpha) (0 <= x <= 1; 0 <= alpha <= 1) family of alloys.Physica Status Solidi a-Applications and Materials Science,205(5),1132-1138.
MLA	R. Z. Huang,et al."Effect of the variation in the composition on the adsorption and desorption performance for the Zr(V(x)Ni(1-x))(2+alpha) (0 <= x <= 1; 0 <= alpha <= 1) family of alloys".Physica Status Solidi a-Applications and Materials Science 205.5(2008):1132-1138.