Tailoring of metal borohydrides for hydrogen storage applications

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

研究成果: 書籍/レポート タイプへの寄稿会議への寄与

2 被引用数 (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

ホスト出版物のタイトルHydrogen Storage Technologies
出版社Materials Research Society
出版ステータス出版済み - 2006
イベント2006 MRS Fall Meeting - Boston, MA, 米国
継続期間: 11月 27 200612月 1 2006


名前Materials Research Society Symposium Proceedings


その他2006 MRS Fall Meeting
CityBoston, MA

!!!All Science Journal Classification (ASJC) codes

  • 材料科学一般
  • 凝縮系物理学
  • 材料力学
  • 機械工学


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