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)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Oct 4 2007|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics