Influence of titanium on the hydrogen storage characteristics of magnesium hydride: a first principles investigation

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	Influence of titanium on the hydrogen storage characteristics of magnesium hydride: a first principles investigation
	Y. Song; Z. X. Guo; R. Yang
	2004
发表期刊	Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing
ISSN	0921-5093
卷号	365 期号:1-2 页码:73-79
摘要	First principles calculations of MgH2 and MgH2-Ti were presented to investigate the influence of titanium on the properties of hydrogen sorption of magnesium hydrides. The heat of formation of MgH2-Ti was enhanced compared with that of MgH2. The bonding between magnesium and hydrogen was weakened, while a stronger interaction between titanium and hydrogen exists if titanium is in solution of the magnesium hydride. (C) 2003 Elsevier B.V. All rights reserved.
部门归属	univ london queen mary coll, dept mat, london e1 4ns, england. chinese acad sci, inst met res, shenyang 110016, peoples r china.;guo, zx (reprint author), univ london queen mary coll, dept mat, mile end rd, london e1 4ns, england;x.guo@qmul.ac.uk
关键词	First Principles Hydrogen Storage Magnesium Hydride Electronic-structure Transition-metals Energetics Sorption Binary Heats
URL	查看原文
WOS记录号	WOS:000187972000010
引用统计	被引频次：47[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35554
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Song,Z. X. Guo,R. Yang. Influence of titanium on the hydrogen storage characteristics of magnesium hydride: a first principles investigation[J]. Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing,2004,365(1-2):73-79.
APA	Y. Song,Z. X. Guo,&R. Yang.(2004).Influence of titanium on the hydrogen storage characteristics of magnesium hydride: a first principles investigation.Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing,365(1-2),73-79.
MLA	Y. Song,et al."Influence of titanium on the hydrogen storage characteristics of magnesium hydride: a first principles investigation".Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing 365.1-2(2004):73-79.