Thermodynamical stability and dehydriding property of calcium borohydride Ca(BH4)2

masakazu aoki, Kazutoshi Miwa, Tatsuo Noritake, Haiwen Li, Shin Ichi Orimo

Research output: Contribution to journalArticlepeer-review


We report our theoretical and experimental studies on the thermodynamical stability and dehydriding property of Ca(BH4)2. The polymorphic crystal structures of Ca(BH4)2 have been investigated by the synchrotron powder X-ray diffraction measurement. Using the structural information, the first-principles calculations have been performed to investigate the fundamental properties of Ca(BH4)2. The dehydriding reaction is predicted to be
, which is supported by the thermogravimetric analysis and the pressure-composition (p-c) isotherm measurement.
Original languageEnglish
Pages (from-to)43-51
JournalR&D Review of Toyota CRDL
Publication statusPublished - 2013


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