Formation of an intermediate compound with a B12H12 cluster: Experimental and theoretical studies on magnesium borohydride Mg(BH4)2

H. W. Li; K. Miwa; N. Ohba; T. Fujita; T. Sato; Y. Yan; S. Towata; M. W. Chen; S. Orimo

doi:10.1088/0957-4484/20/20/204013

Formation of an intermediate compound with a B₁₂H₁₂ cluster: Experimental and theoretical studies on magnesium borohydride Mg(BH₄)₂

H. W. Li, K. Miwa, N. Ohba, T. Fujita, T. Sato, Y. Yan, S. Towata, M. W. Chen, S. Orimo

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Abstract

Experimental and theoretical studies on Mg(BH₄)₂ were carried out from the viewpoint of the formation of the intermediate compound MgB₁₂H₁₂ with B₁₂H₁₂ cluster. The full dehydriding and partial rehydriding reactions of Mg(BH₄) ₂ occurred according to the following multistep reaction: . The dehydriding reaction of Mg(BH₄)₂ starts at approximately 520 K, and 14.4 mass% of hydrogen is released upon heating to 800 K. Furthermore, 6.1 mass% of hydrogen can be rehydrided through the formation of MgB₁₂H₁₂. The mechanism for the formation of MgB ₁₂H₁₂ under the present rehydriding condition is also discussed.

Original language	English
Article number	204013
Journal	Nanotechnology
Volume	20
Issue number	20
DOIs	https://doi.org/10.1088/0957-4484/20/20/204013
Publication status	Published - 2009

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abstract = "Experimental and theoretical studies on Mg(BH4)2 were carried out from the viewpoint of the formation of the intermediate compound MgB12H12 with B12H12 cluster. The full dehydriding and partial rehydriding reactions of Mg(BH4) 2 occurred according to the following multistep reaction: . The dehydriding reaction of Mg(BH4)2 starts at approximately 520 K, and 14.4 mass% of hydrogen is released upon heating to 800 K. Furthermore, 6.1 mass% of hydrogen can be rehydrided through the formation of MgB12H12. The mechanism for the formation of MgB 12H12 under the present rehydriding condition is also discussed.",

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T2 - Experimental and theoretical studies on magnesium borohydride Mg(BH4)2

AU - Li, H. W.

AU - Miwa, K.

AU - Ohba, N.

AU - Fujita, T.

AU - Sato, T.

AU - Yan, Y.

AU - Towata, S.

AU - Chen, M. W.

AU - Orimo, S.

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AB - Experimental and theoretical studies on Mg(BH4)2 were carried out from the viewpoint of the formation of the intermediate compound MgB12H12 with B12H12 cluster. The full dehydriding and partial rehydriding reactions of Mg(BH4) 2 occurred according to the following multistep reaction: . The dehydriding reaction of Mg(BH4)2 starts at approximately 520 K, and 14.4 mass% of hydrogen is released upon heating to 800 K. Furthermore, 6.1 mass% of hydrogen can be rehydrided through the formation of MgB12H12. The mechanism for the formation of MgB 12H12 under the present rehydriding condition is also discussed.

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Formation of an intermediate compound with a B₁₂H₁₂ cluster: Experimental and theoretical studies on magnesium borohydride Mg(BH₄)₂

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