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Effect of Transition Metal Fluorides on the Sorption Properties and Reversible Formation of Ca(BH4)(2)

Minella, Christian Bonatto; Garroni, Sebastiano; Pistidda, Claudio; Gosalawit-Utke, R.; Barkhordarian, Gagik; Rongeat, Carine; Lindemann, Inge; Gutfleisch, Oliver; Jensen, Torben R. and Cerenius, Yngve, et al. (2011) In Journal of Physical Chemistry C 115(5). p.2497-2504
Abstract
Light metal borohydrides are considered as promising materials for solid state hydrogen storage. Because of the high hydrogen content of 11.5 wt % and the rather low dehydrogenation enthalpy of 32 kJ mol(-1)H(2), Ca(BH4)(2) is considered to be one of the most interesting compounds in this class of materials. In the present work, the effect of selected TM-fluoride (TM = transition metal) additives on the reversible formation of Ca(BH4)(2) was investigated by means of thermovolumetric, calorimetric, Fourier transform infrared spectroscopy, and ex situ, and in situ synchrotron radiation powder X-ray diffraction (SR-PXD) measurements. Furthermore, selected desorbed samples were analyzed by B-11{H-1} solid state magic angle spinning nuclear... (More)
Light metal borohydrides are considered as promising materials for solid state hydrogen storage. Because of the high hydrogen content of 11.5 wt % and the rather low dehydrogenation enthalpy of 32 kJ mol(-1)H(2), Ca(BH4)(2) is considered to be one of the most interesting compounds in this class of materials. In the present work, the effect of selected TM-fluoride (TM = transition metal) additives on the reversible formation of Ca(BH4)(2) was investigated by means of thermovolumetric, calorimetric, Fourier transform infrared spectroscopy, and ex situ, and in situ synchrotron radiation powder X-ray diffraction (SR-PXD) measurements. Furthermore, selected desorbed samples were analyzed by B-11{H-1} solid state magic angle spinning nuclear magnetic resonance (MAS NMR). Under the conditions used in this study (145 bar H-2 pressure and 350 degrees C), TiF4 and NbF5 were the only additives causing partial reversibility. In these two cases, B-11{H-1} MAS NMR analyses detected CaB6 and likely CaB12H12 in the dehydrogenation products. Elemental boron was found in the decomposition products of Ca(BH4)(2) samples with VF4, TiF3, and VF3. The results indicate an important role of CaB6 for the reversible formation of Ca(BH4)(2). (Less)
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Journal of Physical Chemistry C
volume
115
issue
5
pages
2497 - 2504
publisher
The American Chemical Society
external identifiers
  • wos:000286868600141
  • scopus:79952643428
ISSN
1932-7447
DOI
10.1021/jp107781m
language
English
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yes
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c4cdca65-217a-41d0-83ee-d27ddbf4aec0 (old id 1872814)
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2011-04-18 11:20:48
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2017-10-01 03:08:54
@article{c4cdca65-217a-41d0-83ee-d27ddbf4aec0,
  abstract     = {Light metal borohydrides are considered as promising materials for solid state hydrogen storage. Because of the high hydrogen content of 11.5 wt % and the rather low dehydrogenation enthalpy of 32 kJ mol(-1)H(2), Ca(BH4)(2) is considered to be one of the most interesting compounds in this class of materials. In the present work, the effect of selected TM-fluoride (TM = transition metal) additives on the reversible formation of Ca(BH4)(2) was investigated by means of thermovolumetric, calorimetric, Fourier transform infrared spectroscopy, and ex situ, and in situ synchrotron radiation powder X-ray diffraction (SR-PXD) measurements. Furthermore, selected desorbed samples were analyzed by B-11{H-1} solid state magic angle spinning nuclear magnetic resonance (MAS NMR). Under the conditions used in this study (145 bar H-2 pressure and 350 degrees C), TiF4 and NbF5 were the only additives causing partial reversibility. In these two cases, B-11{H-1} MAS NMR analyses detected CaB6 and likely CaB12H12 in the dehydrogenation products. Elemental boron was found in the decomposition products of Ca(BH4)(2) samples with VF4, TiF3, and VF3. The results indicate an important role of CaB6 for the reversible formation of Ca(BH4)(2).},
  author       = {Minella, Christian Bonatto and Garroni, Sebastiano and Pistidda, Claudio and Gosalawit-Utke, R. and Barkhordarian, Gagik and Rongeat, Carine and Lindemann, Inge and Gutfleisch, Oliver and Jensen, Torben R. and Cerenius, Yngve and Christensen, Jeppe and Dolores Baro, Maria and Bormann, Ruediger and Klassen, Thomas and Dornheim, Martin},
  issn         = {1932-7447},
  language     = {eng},
  number       = {5},
  pages        = {2497--2504},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {Effect of Transition Metal Fluorides on the Sorption Properties and Reversible Formation of Ca(BH4)(2)},
  url          = {http://dx.doi.org/10.1021/jp107781m},
  volume       = {115},
  year         = {2011},
}