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cond-mat.mtrl-sci2007★ 139 cited
Thermodynamic guidelines for the prediction of hydrogen storage reactions and their application to destabilized hydride mixtures
Donald J. Siegel, C. Wolverton, V. Ozolins
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…
cond-mat.mtrl-sci2006★ 76 cited
Reaction energetics and crystal structure of Li4BN3H10 from first principles
Donald J. Siegel, C. Wolverton, V. Ozolins
Using density functional theory we examine the crystal structure and the finite-temperature thermodynamics of formation and dehydrogenation for the new quaternary hydride Li4BN3H10…