High capacity multicomponent hydrogen storage materials: Investigation of the effect of stoichiometry and decomposition conditions on the cycling behaviour of LiBH4–MgH2

Walker, Gavin S.; Grant, David M.; Price, Tobias C.; Yu, Xuebin; Legrand, Vincent

doi:10.1016/j.jpowsour.2009.06.075

Cited by 59 publications

(53 citation statements)

References 13 publications

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“…The overall reaction for hydriding and dehydriding of the LiBH 4 þ MgH 2 mixture (in a 2:1 M ratio) has been generally agreed to be [1]. LiBH 4 þ ½MgH 2 ¼ LiH þ ½MgB 2 þ 2H 2 (1) Furthermore, many studies [2e6, 10] have revealed that the dehydrogenation process is actually composed of two elemental steps, i.e., MgH 2 decomposes into Mg and H 2 first, and then the newly formed Mg react with LiBH 4 to produce LiH, MgB 2 and H 2 , as indicated by the following two reactions [5].…”

Section: Introductionmentioning

confidence: 99%

Reaction between LiBH4 and MgH2 induced by high-energy ball milling

Ding

Zhao

Shaw

2015

Journal of Power Sources

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h i g h l i g h t sReaction between LiBH 4 and MgH 2 can occur during ball milling. The products from the reaction between LiBH 4 and MgH 2 are MgB 2 and LiH. Such a reaction is made possible via ball milling with aerosol spraying. These results confirm the prediction of DFT calculations for the first time. a b s t r a c tPrevious studies of ab initio density functional theory (DFT) calculations have predicted that reactions between LiBH 4 and MgH 2 can take place at temperature near 200 C. However, such predictions have been shown to be inconsistent with many experiments. Herein, we have designed a novel process termed as ball milling with aerosol spraying (BMAS) to prove, for the first time, that the reaction between LiBH 4 and MgH 2 can indeed occur during ball milling at room temperature. Through this BMAS process we have demonstrated unambiguously the formation of MgB 2 and LiH during ball milling of MgH 2 while aerosol spraying of the LiBH 4 /THF solution. In this BMAS process, aerosol spraying of the LiBH 4 /THF solution leads to the formation of LiBH 4 nanoparticles which decompose to form Li 2 B 12 H 12 . The Li 2 B 12 H 12 formed then reacts with MgH 2 in situ during ball milling to form MgB 2 and LiH. The discovery made in this study has significant implications in making LiBH 4 þ MgH 2 as a viable system for reversible hydrogen storage applications near ambient temperature in the future.

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Section: Introductionmentioning

confidence: 99%

Reaction between LiBH4 and MgH2 induced by high-energy ball milling

Ding

Zhao

Shaw

2015

Journal of Power Sources

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“…3,4 The relatively stable alkaline and alkaline earth metal borohydrides form in some cases with transition metals new bimetallic phases, which may improve the thermodynamic properties. [5][6][7][8] Metal borohydrides are known to have a rich chemistry and can also form eutectic melting mixtures as observed for the Ca(BH 4 ) 2 -LiBH 4 system or new solids as in the Al(BH 4 ) 3 -LiBH 4 system, i.e., Li 4 Al 3 (BH 4 ) 13 . 9,10 The thermal stability of binary metal hydrides has been inversely related to the metal electronegativity (and consequently to the standard redox potential).…”

Section: Introductionmentioning

confidence: 99%

Structure and Characterization of KSc(BH₄)₄

et al. 2010

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A new potassium scandium borohydride, KSc(BH 4 ) 4 , is presented and characterized by a combination of in situ synchrotron radiation powder X-ray diffraction, thermal analysis, and vibrational and NMR spectroscopy. The title compound, KSc(BH 4 ) 4 , forms at ambient conditions in ball milled mixtures of potassium borohydride and ScCl 3 together with a new ternary chloride K 3 ScCl 6 , which is also structurally characterized. This indicates that the formation of KSc(BH 4 ) 4 differs from a simple metathesis reaction, and the highest scandium borohydride yield (∼31 mol %) can be obtained with a reactant ratio KBH 4 :ScCl 3 of 2:1. KSc(BH 4 ) 4 crystallizes in the orthorhombic crystal system, a ) 11.856(5), b ) 7.800(3), c ) 10.126 (6) 4 can be seen as a distorted variant of orthorhombic neptunium, Np, metal. Thermal expansion of KSc(BH 4 ) 4 in the temperature range RT to 405 K is anisotropic, and the lattice parameter b shows strong nonlinearity upon approaching the melting temperature. The vibrational and NMR spectra are consistent with the structural model, and previous investigations of the related compounds ASc(BH 4 ) 4 with A ) Li, Na. KSc(BH 4 ) 4 is stable from RT up to ∼405 K, where the compound melts and then releases hydrogen in two rapid steps approximately at 460-500 K and 510-590 K. The hydrogen release involves the formation of KBH 4 , which reacts with K 3 ScCl 6 and forms a solid solution, K(BH 4 ) 1-x Cl x . The ternary potassium scandium chloride K 3 ScCl 6 observed in all samples has a monoclinic structure at room temperature, P2 1 /a, a ) 12.729(3), b ) 7.367(2), c ) 12.825(3) Å, ) 109.22(2)°, V ) 1135.6(4) Å 3

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“…The results reported by Walker et al [22] for a LiBH 4 eMgH 2 system showed that reversible dehydrogenation of LiBD 4 e MgD 2 in a 2:1 M ratio could be possible under low pressures of hydrogen. Weng et al [23] reported improvement in the dehydrogenation performance of LiBH 4 /MgH 2 composite by addition of Pd nanoparticles.…”

Section: Introductionmentioning

confidence: 92%