Experimental Evidence of Ca[B12H12] Formation During Decomposition of a Ca(BH4)2 + MgH2 Based Reactive Hydride Composite

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• 作者：Christian Bonatto Minella ; Sebastiano Garroni ; David Olid ; Francesc Teixidor ; Claudio Pistidda ; Inge Lindemann ; Oliver Gutfleisch ; Maria Dolores Baro虂 ; Ru虉diger Bormann ; Thomas Klassen ; Martin Dornheim
• 刊名：Journal of Physical Chemistry C
• 出版年：2011
• 出版时间：September 15, 2011
• 年：2011
• 卷：115
• 期：36
• 页码：18010-18014
• 全文大小：788K
• 年卷期：v.115,no.36(September 15, 2011)
• ISSN：1932-7455

文摘

The combination of Ca(BH₄)₂ and MgH₂ materials results in a composite with remarkable hydrogen storage properties. However, full reversibility upon the (re)hydrogenation reaction has not yet been achieved. The poor reversibility is shown to be linked to the formation of stable intermediate phases or side products upon decomposition. In this work, we show, for the first time, the clear experimental evidence of CaB₁₂H₁₂ among the decomposition products of a Ca(BH₄)₂ + MgH₂ composite. A combination of ¹¹B Magic Angle Spinning鈥揘uclear Magnetic Resonance (¹¹B{¹H} MAS NMR), ex situ X-ray diffraction (XRD) and Rietveld analysis are presented. An assessment of the (de)hydrogenation and (re)hydrogenation reactions of Ca(BH₄)₂ + MgH₂ composite is reported. The experimental results provided in this work highlight the reasons for the limited reversibility observed in the Ca(BH₄)₂ + MgH₂ composite upon (re)hydrogenation.