Combined Effects of Functional Cation and Anion on the Reversible Dehydrogenation of LiBH(4)

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	Combined Effects of Functional Cation and Anion on the Reversible Dehydrogenation of LiBH(4)
	Z. Z. Fang; X. D. Kang; Z. X. Yang; G. S. Walker; P. Wang
	2011
发表期刊	Journal of Physical Chemistry C
ISSN	1932-7447
卷号	115 期号:23 页码:11839-11845
摘要	Catalyst doping has been widely employed as an effective method for improving the H-exchange kinetics of complex hydrides. However, a viable hydrogen storage material requires favorable properties on both kinetic and thermodynamic aspects to allow dehydrogenation and rehydrogenation reactions to proceed at moderate temperatures. In the present study, titanium halides (TiCl(3) or TiF(3)) were mechanically milled with LiBH(4) and examined with respect to their effects on the hydrogen storage properties of LiBH(4). Experimental study showed that both halides are effective promoters. In particular, TiF(3) exhibits a superior promoting effect to its analogue, TiCl(3), on the reversible dehydrogenation of LiBH(4). Phase characterization and chemical state analysis results showed that both halides react with the host LiBH(4), resulting in the in situ formation of the catalytically active Ti hydride. However, the two halogen anions differ substantially from each other in terms of state and function. Associated with the dissolution of LiCl into LiBH(4), the Cl(-) anion can readily replace [BH(4)](-) and exerts a stabilizing effect on the hexagonal phase of LiBH(4). By contrast, the F(-) anion may partially substitute the anionic H in both LiBH(4) (hydrogenated state) and LiH (dehydrogenated state) lattices, resulting in a favorable modification of the hydrogen-exchange thermodynamics of LiBH(4). The observed promoting effect of TiF(3) on the reversible dehydrogenation of LiBH(4) should be understood from the combined effects of functional cation and anion. In this regard, TiF(3) provides a prototype catalyst that can simultaneously modify the H-exchange kinetics and thermodynamics of complex hydrides.
部门归属	[fang, zhan-zhao; kang, xiang-dong; wang, ping] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [yang, zhu-xian; walker, gavin s.] univ nottingham, fac engn, energy & sustainabil res div, nottingham ng7 2rd, england.;wang, p (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china;pingwang@imr.ac.cn
关键词	Hydrogen-storage Materials Complex Hydrides Lithium Borohydrides Metal Borohydrides Stability Carbon Composites Desorption Additives Halides
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30315
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. Z. Fang,X. D. Kang,Z. X. Yang,et al. Combined Effects of Functional Cation and Anion on the Reversible Dehydrogenation of LiBH(4)[J]. Journal of Physical Chemistry C,2011,115(23):11839-11845.
APA	Z. Z. Fang,X. D. Kang,Z. X. Yang,G. S. Walker,&P. Wang.(2011).Combined Effects of Functional Cation and Anion on the Reversible Dehydrogenation of LiBH(4).Journal of Physical Chemistry C,115(23),11839-11845.
MLA	Z. Z. Fang,et al."Combined Effects of Functional Cation and Anion on the Reversible Dehydrogenation of LiBH(4)".Journal of Physical Chemistry C 115.23(2011):11839-11845.

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