Metallo Borohydrides. III. Lithium Borohydride

Schlesinger, H. I.; Brown, Herbert C.

doi:10.1021/ja01869a039

Cited by 204 publications

(117 citation statements)

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“…3), at 1 bar H 2 pressure, Li 2 B 12 H 12 should be stable above 500 K and a driving force for reaction (15) should be present above that temperature. This driving force could explain the hydrogen transport detected in LiBH 4 below the melting temperature [58], as well as the small hydrogen release detected during melting [35,39,46]. In fact, at these temperatures, there should be no driving force for the decomposition into LiH according to reaction (17) pathway, so that release of H 2 should not be observed.…”

Section: Consistency Of Results and Discussionmentioning

confidence: 99%

A thermodynamic assessment of LiBH4

Kharbachi

Pinatel

Nuta

et al. 2012

Calphad

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a b s t r a c t Thermodynamic data of the LiBH 4 compound are reviewed and critically assessed. On the basis of literature data of heat capacity, heat of formation, temperature and enthalpy of phase transitions, a CALPHAD optimized Gibbs energy function is derived for the condensed phases i.e. orthorhombic and hexagonal solid phases and the liquid phase. Considering hydrogen as an ideal gas phase, the thermodynamics of decomposition reactions of LiBH 4 is calculated, showing good agreement with existing experimental data.

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Section: Consistency Of Results and Discussionmentioning

confidence: 99%

A thermodynamic assessment of LiBH4

Kharbachi

Pinatel

Nuta

et al. 2012

Calphad

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“…Reversibility and thermodynamic attributes are differentiated according to a practical on-board perspective: reversibility is taken as the potential for each class of materials to be capable of being reversed on-board, whereas thermodynamics dictates the reasonableness of the theoretical operating temperature and pressure conditions for hydrogen charge and discharge. The 'spillover' concept (see section IV) applies for sorbent systems and extends the desorption enthalpy for these compounds into the on-board reversible region (dashed line in bottom panel Although complex hydrides have been known for an extended time, for example the first report of a pure alkali metal borohydride was in 1940, 34 they were initially not considered for reversible hydrogen storage. This lack of initial interest can be traced to their apparent irreversibility-the inability to both release and take-up hydrogen over many cycles-due to unfavorable hydrogen reaction thermodynamics and/or their slow kinetics.…”

Section: Complex Hydridesmentioning

confidence: 99%

High capacity hydrogenstorage materials: attributes for automotive applications and techniques for materials discovery

et al. 2010

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Widespread adoption of hydrogen as a vehicular fuel depends critically upon the ability to store hydrogen on-board at high volumetric and gravimetric densities, as well as on the ability to extract/insert it at sufficiently rapid rates. As current storage methods based on physical means-high-pressure gas or (cryogenic) liquefaction-are unlikely to satisfy targets for performance and cost, a global research effort focusing on the development of chemical means for storing hydrogen in condensed phases has recently emerged. At present, no known material exhibits a combination of properties that would enable high-volume automotive applications. Thus new materials with improved performance, or new approaches to the synthesis and/or processing of existing materials, are highly desirable. In this critical review we provide a practical introduction to the field of hydrogen storage materials research, with an emphasis on (i) the properties necessary for a viable storage material, (ii) the computational and experimental techniques commonly employed in determining these attributes, and (iii) the classes of materials being pursued as candidate storage compounds. Starting from the general requirements of a fuel cell vehicle, we summarize how these requirements translate into desired characteristics for the hydrogen storage material. Key amongst these are: (a) high gravimetric and volumetric hydrogen density, (b) thermodynamics that allow for reversible hydrogen uptake/release under near-ambient conditions, and (c) fast reaction kinetics. To further illustrate these attributes, the four major classes of candidate storage materials-conventional metal hydrides, chemical hydrides, complex hydrides, and sorbent systems-are introduced and their respective performance and prospects for improvement in each of these areas is discussed. Finally, we review the most valuable experimental and computational techniques for determining these attributes, highlighting how an approach that couples computational modeling with experiments can significantly accelerate the discovery of novel storage materials (155 references).

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“…Knowing that Al-containing compounds can form reversible complex metal hydrides it is a reasonable approach to look for Boroncontaining compounds as reversible hydrogen storage materials with even higher storage capacity. Borohydrides are known since 1940 when Schlesinger and Brown report about the successful synthesis of LiBH 4 by reaction of LiEt and diborane (Schlesinger & Brown, 1940). Despite the early patent from Goerrig in 1958(Goerrig, 1960 direct synthesis from gaseous H 2 was not possible for long times.…”

Section: Borohydridesmentioning

confidence: 99%

Thermodynamics of Metal Hydrides: Tailoring Reaction Enthalpies of Hydrogen Storage Materials

Dornheim¹

2011

Thermodynamics - Interaction Studies - Solids, Liquids and Gases

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Metallo Borohydrides. III. Lithium Borohydride

Cited by 204 publications

References 1 publication

A thermodynamic assessment of LiBH4

A thermodynamic assessment of LiBH4

High capacity hydrogenstorage materials: attributes for automotive applications and techniques for materials discovery

Thermodynamics of Metal Hydrides: Tailoring Reaction Enthalpies of Hydrogen Storage Materials

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