Investigation of the Dehydrogenation Reaction Pathway of Ca(BH4)2 and Reversibility of Intermediate Phases

Title
Investigation of the Dehydrogenation Reaction Pathway of Ca(BH4)2 and Reversibility of Intermediate Phases
Authors
김윤영황선정심재혁이영수한흥남조영환
Keywords
hydrogen storage; calcium borohydride; complex hydride
Issue Date
2012-02
Publisher
The Journal of Physical Chemistry C
Citation
VOL 116, NO 6, 4330-4334
Abstract
The dehydrogenation reaction pathway of Ca(BH4)2 has been investigated under an isobaric condition of 1 bar of hydrogen. β-Ca(BH4)2 gradually transforms into the (XRD invisible) amorphous phase at the initial stage. Upon further heating, it decomposes into CaB2Hx or CaB12H12, indicating that there is a subtle competition between two different dehydrogenation routes: (i) Ca(BH4)2 → amorphous phase → CaB2Hx + (4 − x)/2H2 → 2/3CaH2 + 1/3CaB6 + 10/3H2 and (ii) Ca(BH4)2 → amorphous phase → 1/6CaB12H12 + 5/6CaH2 + 13/6H2. It has also been concluded that CaB2Hx as well as the CaB6 + CaH2 mixture can be rehydrogenated at 330 °C under 90 bar of hydrogen without any catalytic additive, whereas CaB12H12 hardly rehydrogenated under the same conditions.
URI
http://pubs.kist.re.kr/handle/201004/42115
ISSN
19327447
Appears in Collections:
KIST Publication > Article
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