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 LiB H4 and Ca (B H4) 2 borohydrides. Our analysis reveals several reactions having both favorable thermodynamics and relatively high hydrogen densities (ranging from 5 to 9 wt % H2 and 85 to 100 g H2/l), and it demonstrates that chemical intuition alone is not sufficient to identify valid reaction pathways.
Original language | English (US) |
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Article number | 134102 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 76 |
Issue number | 13 |
DOIs | |
State | Published - Oct 4 2007 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics