Experimental and computational investigations on the AlH 3/AlF3 system

Jon Erling Fonneløp, Marta Corno, Hilde Grove, Eugenio Pinatel, Magnus H. Sørby, Piero Ugliengo, Marcello Baricco, Bjørn C. Hauback

Risultato della ricerca: Contributo su rivistaArticolo in rivistapeer review

Abstract

The possibility of changing the thermodynamic properties of AlH 3, alane, by fluorine anion substitution has been investigated by experimental measurements, ab initio calculations and thermodynamic modelling. No solid solution phases are observed experimentally. In accordance to this the calculations give a positive free energy of mixing for all compositions, showing that a mixed phase is not thermodynamically favourable. Thus fluorine anion substitution does not seem feasible for the alane system.

Lingua originaleInglese
pagine (da-a)10-14
Numero di pagine5
RivistaJournal of Alloys and Compounds
Volume509
Numero di pubblicazione1
DOI
Stato di pubblicazionePubblicato - 5 gen 2011
Pubblicato esternamente

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