Physics – Condensed Matter – Materials Science
Scientific paper
2007-09-21
Phys. Rev. B 76, 134102 (2007)
Physics
Condensed Matter
Materials Science
Accepted in Phys. Rev. B (V76, Issue 13, Oct 1, 2007); Submitted 13 Oct 2006. 5 pages
Scientific paper
10.1103/PhysRevB.76.134102
We propose a set of thermodynamic guidelines aimed at facilitating more robust screening of hydrogen storage reactions. The utility of the guidelines is illustrated by reassessing the validity of reactions recently proposed in the literature, and through vetting a list of more than 20 candidate reactions based on destabilized LiBH4 and Ca(BH4)2 borohydrides. Our analysis reveals several new reactions having both favorable thermodynamics and relatively high hydrogen densities (5-9 wt.% H2 & 85-100 g H2 /L), and demonstrates that chemical intuition alone is not sufficient to identify valid reaction pathways.
Ozolins Vidvuds
Siegel Donald J.
Wolverton C.
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