Metal halide doped metal borohydrides for hydrogen storage: The case of Ca(BH4)2–CaX2 (X = F, Cl) mixture

Lee, Ji Youn; Lee, Young-Su; Suh, Jin-Yoo; Shim, Jaesool; Cho, Young Whan

doi:10.1016/j.jallcom.2010.07.051

Cited by 47 publications

(41 citation statements)

References 51 publications

(77 reference statements)

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“…Our results were recently corroborated by the serendipitous synthesis of Ca 7 H 12 Cl 2 which we identified by the lattice parameters and symmetry elucidated by Lee et al from X-ray powder data [10].…”

Section: Introductionsupporting

confidence: 85%

Filling up another Gap: Synthesis and Crystal Structure of Ba₂H₃I

Reckeweg

DiSalvo

2011

Zeitschrift Für Naturforschung B

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Colorless and transparent single crystals of Ba 2 H 3 I were obtained by reacting Ba with dried and sublimed NH 4 I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules at 1100 K for 13 h. The crystal structure of the title compound was determined and refined by means of single-crystal X-ray diffraction. Ba 2 H 3 I crystallizes in a stuffed anti-CdI 2 structure isotypic to Sr 2 H 3 I in the space group P3m1 (no. 164) with the lattice parameters a = 451.86(12) and c = 811.84(23) pm. The structural results for Ba 2 H 3 I are consistent with bond lengths and coordination geometries of related binary and ternary hydrides.

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Section: Introductionsupporting

confidence: 85%

Filling up another Gap: Synthesis and Crystal Structure of Ba₂H₃I

Reckeweg

DiSalvo

2011

Zeitschrift Für Naturforschung B

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“…Anion substitution in other systems has also been investigated, e.g. Ca(BH 4 ) 2 -CaX 2 with X = Cl, Br and I [57][58][59] and Mg(BH 4 ) 2 -MgX 2 (X = Cl and Br) [60]. The smaller halide ion, F -(1.33 Å ), has a similar size compared to the hydride ion, H -(1.40 Å ), and their compounds share many chemical properties; for example, the ionic compounds are often found to be isostructural.…”

Section: Anion Substitution In Metal Borohydridesmentioning

confidence: 99%

Complex and liquid hydrides for energy storage

et al. 2016

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The research on complex hydrides for hydrogen storage was initiated by the discovery of Ti as a hydrogen sorption catalyst in NaAlH 4 by Boris Bogdanovic in 1996. A large number of new complex hydride materials in various forms and combinations have been synthesized and characterized, and the knowledge regarding the properties of complex hydrides and the synthesis methods has grown enormously since then. A significant portion of the research groups active in the field of complex hydrides is collaborators in the International Energy Agreement Task 32. This paper reports about the important issues in the field of complex hydride research, i.e. the synthesis of borohydrides, the thermodynamics of complex hydrides, the effects of size and confinement, the hydrogen sorption mechanism and the complex hydride composites as well as the properties of liquid complex hydrides. This paper is the result of the collaboration of several groups and is an excellent summary of the recent achievements.

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“…13,14 Anion substitu-tion in metal borohydride materials was reported for LiBH 4 -LiX, where X = Cl, Br, and I in NaBH 4 -NaCl, in Ca(BH 4 ) 2 -CaX 2 , X = Cl and I, and in Mg(BH 4 ) 2 -MgX 2 , X = Cl and Br. [15][16][17][18][19][20][21][22][23][24] The change in the hydrogen storage properties of anion-substituted metal borohydride using the heavier halides, Cl, Br or I, is small and may lead to a stabilization, which tends to facilitate hydrogen absorption. 18,19,24 In contrast, calculations reveal that fluorine substitution in LiBH 4 is not thermodynamically favored but should indeed provide a destabilization of lithium borohydride.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen–fluorine exchange in NaBH4–NaBF4

Rude

Filsø

D’Anna

et al. 2013

Phys. Chem. Chem. Phys.

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a Hydrogen-fluorine exchange in the NaBH 4 -NaBF 4 system is investigated using a range of experimental methods combined with DFT calculations and a possible mechanism for the reactions is proposed. Fluorine substitution is observed using in situ synchrotron radiation powder X-ray diffraction (SR-PXD) as a new Rock salt type compound with idealized composition NaBF 2 H 2 in the temperature range T = 200 to 215 1C. Combined use of solid-state 19 F MAS NMR, FT-IR and DFT calculations supports the formation of a BF 2 H 2 complex ion, reproducing the observation of a 19 F chemical shift at 144.2 ppm, which is different from that of NaBF 4 at 159.2 ppm, along with the new absorption bands observed in the IR spectra. After further heating, the fluorine substituted compound becomes X-ray amorphous and decomposes to NaF at B310 1C. This work shows that fluorine-substituted borohydrides tend to decompose to more stable compounds, e.g. NaF and BF 3 or amorphous products such as closo-boranes, e.g. Na 2 B 12 H 12 . The NaBH 4 -NaBF 4 composite decomposes at lower temperatures (300 1C) compared to NaBH 4 (476 1C), as observed by thermogravimetric analysis. NaBH 4 -NaBF 4 (1 : 0.5) preserves 30% of the hydrogen storage capacity after three hydrogen release and uptake cycles compared to 8% for NaBH 4 as measured using Sievert's method under identical conditions, but more than 50% using prolonged hydrogen absorption time. The reversible hydrogen storage capacity tends to decrease possibly due to the formation of NaF and Na 2 B 12 H 12 . On the other hand, the additive sodium fluoride appears to facilitate hydrogen uptake, prevent foaming, phase segregation and loss of material from the sample container for samples of NaBH 4 -NaF.

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Metal halide doped metal borohydrides for hydrogen storage: The case of Ca(BH4)2–CaX2 (X = F, Cl) mixture

Cited by 47 publications

References 51 publications

Filling up another Gap: Synthesis and Crystal Structure of Ba₂H₃I

Filling up another Gap: Synthesis and Crystal Structure of Ba₂H₃I

Complex and liquid hydrides for energy storage

Hydrogen–fluorine exchange in NaBH4–NaBF4

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Metal halide doped metal borohydrides for hydrogen storage: The case of Ca(BH4)2–CaX2 (X = F, Cl) mixture

Cited by 47 publications

References 51 publications

Filling up another Gap: Synthesis and Crystal Structure of Ba2H3I

Filling up another Gap: Synthesis and Crystal Structure of Ba2H3I

Complex and liquid hydrides for energy storage

Hydrogen–fluorine exchange in NaBH4–NaBF4

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Filling up another Gap: Synthesis and Crystal Structure of Ba₂H₃I

Filling up another Gap: Synthesis and Crystal Structure of Ba₂H₃I