Formation and hydrogen storage properties of dual-cation (Li, Ca) borohydride

Zhan Zhao Fang, Xiang Dong Kang, Jun Hong Luo, Ping Wang, Hai Wen Li, Shin Ichi Orimo

Research output: Contribution to journalArticlepeer-review

37 Citations (Scopus)


Lithium borohydride, LiBH4, possesses high hydrogen capacity, but cannot be used for hydrogen storage owing to the problematic H-exchange kinetics and thermodynamics. In the present study, we employed the Li +-Ca2+ combination strategy to improve the de/rehydrogenation properties of LiBH4. Our study found that mechanically milling 1:1 LiBH4/Ca(BH4)2 mixture formed a dual-cation borohydride, Li0.9Ca(BH4) 2.9, which then transformed to stoichiometric LiCa(BH 4)3 in the heating process. The formation and decomposition behaviors of LiCa(BH4)3 were studied using X-ray diffraction and thermogravimetry/differential scanning calorimetry/mass spectroscopy techniques. It was found that LiCa(BH4)3 differs significantly from the component phases in terms of physical properties, decomposition behaviors, and mechanistic pathway. In particular, LiCa(BH 4)3 exhibits improved de/rehydrogenation properties relative to the component phases. These experimental findings exemplified the effectiveness of manipulation of dual-cation combination in tuning the de/rehydrogenation properties of the ionic light-metal borohydrides.

Original languageEnglish
Pages (from-to)22736-22741
Number of pages6
JournalJournal of Physical Chemistry C
Issue number51
Publication statusPublished - Dec 30 2010
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • General Energy
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films


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