Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 116, Issue 6, Pages 4330-4334Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp210662a
Keywords
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Funding
- Hydrogen Energy RD Center
- Ministry of Education, Science and Technology of Korea
- National Science Foundation (NSF) [9724240]
- MRSEC of the NSF [DMR-520565]
- National Research Foundation of Korea
- Ministry of Education, Science and Technology [2010-0018936]
- National Research Foundation of Korea [23-2009-08-001-00] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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The dehydrogenation reaction pathway of Ca(BH4)(2) has been investigated under an isobaric condition of 1 bar of hydrogen. beta-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)/2H(2) -> 2/3CaH(2) + 1/3CaB(6) + 10/3H(2) and (ii) Ca(BH4)(2) -> amorphous phase -> 1/6CaB(12)H(12) + 5/6CaH(2) + 13/6H(2). It has also been concluded that CaB2Hx as well as the CaB6 + CaH2 mixture can be rehydrogenated at 330 degrees C under 90 bar of hydrogen without any catalytic additive, whereas CaB12H12 hardly rehydrogenated under the same conditions.
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