Data di Pubblicazione:
2014
Abstract:
In this work ab initio calculations and Calphad modelling have been coupled to describe the effect of fluorine substitution on the thermodynamics of hydrogenation-dehydrogenation in simple hydrides (NaH, AlH3 and CaH2). These example systems have been used to discuss the conditions required for the formation of a stable hydride-fluoride solid solution necessary to obtain a reversible hydrogenation reaction.
Tipologia CRIS:
03A-Articolo su Rivista
Elenco autori:
E.R. Pinatel;M. Corno;P. Ugliengo;M. Baricco
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