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

doi:10.1016/j.msea.2003.09.008

IMR OpenIR

	Influence of titanium on the hydrogen storage characteristics of magnesium hydride: a first principles investigation
	Song, Y ; Guo, ZX ; Yang, R
通讯作者	Guo, ZX(x.guo@qmul.ac.uk)
	2004-01-25
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.
关键词	first principles hydrogen storage magnesium hydride
DOI	10.1016/j.msea.2003.09.008
收录类别	SCI
语种	英语
WOS研究方向	Science & Technology - Other Topics ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000187972000010
出版者	ELSEVIER SCIENCE SA
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/81823
通讯作者	Guo, ZX
作者单位	1.Univ London Queen Mary Coll, Dept Mat, London E1 4NS, England 2.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Song, Y,Guo, ZX,Yang, R. 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	Song, Y,Guo, ZX,&Yang, R.(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	Song, Y,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.