Thermodynamic guidelines for the prediction of hydrogen storage reactions and their application to destabilized hydride mixtures

Abstract

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.

arXiv commentAccepted in Phys. Rev. B (V76, Issue 13, Oct 1, 2007); Submitted 13 Oct 2006. 5 pages

References in corpus (3)

• Titanium-decorated carbon nanotubes: a potential high-capacity hydrogen storage medium
• Combinatorial Search for Optimal Hydrogen-Storage Nanomaterials Based on Polymers
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