Tailoring of metal borohydrides for hydrogen storage applications

Yuko Nakamori, Kazutoshi Miwa, Hai Wen Li, Nobuko Ohba, Shin Ichi Towata, Shin Ichi Orimo

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Citations (Scopus)


Recent investigations on thermodynamical stabilities of metal borohydrides were reviewed. The first-principles calculations indicated that the heat of formation normalized by the number of BH4 complexs, ΔHboro, show a good correlation with the Pauling electronegativitiese of M, χP, which is represented by the liner relation, Delta;H boro = 252.8;χP - 396.4 in the unit of kJ/mol BH 4. In order to clarify the correlation between the stability of borohydrides and the electronegativity χP of M, M(BH 4)n (M= Mg, Ca, Sc, Ti, V, Cr, Mn, Zn, Zr and Al; n = 2-4) were systematically synthesized by mechanical milling. The thermal desorption analyses indicated that Td correlate with χP of M; Td decrease with increasing the values of χP, in M(BH4)n. Furthermore, the correlation can be reasonably extended to double cation ones, ZrLin-4(BH4)n. For single cation, M(BH4)n (M = Mn, Zn and Al; χP ≧ 1.5) desorb borane besides hydrogen, and M(BH 4)n (M = Ti, V and Cr; χP ≧ 1.5) desorb small amount of hydrogen provably due to desorption reaction during milling. Therefore χP is an indicator to approximately estimate the stability of M(BH4)n, and appropriate χP in M(BH4)n is expected to be smaller than 1.5. The enthalpy change for the desorption reaction, Δdes, is estimated using our predicted ΔHboro and the reported data for decomposition product, ΔHhyd/boride, which shows a good correlation with the observed Td. These results are useful for exploring M(BH 4)n with appropriate stability for hydrogen storage applications

Original languageEnglish
Title of host publicationHydrogen Storage Technologies
PublisherMaterials Research Society
Number of pages11
ISBN (Print)9781604234206
Publication statusPublished - 2006
Externally publishedYes
Event2006 MRS Fall Meeting - Boston, MA, United States
Duration: Nov 27 2006Dec 1 2006

Publication series

NameMaterials Research Society Symposium Proceedings
ISSN (Print)0272-9172


Other2006 MRS Fall Meeting
Country/TerritoryUnited States
CityBoston, MA

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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