Cubic metallic phase of aluminum hydride showing improved hydrogen desorption
2008 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 92, no 20, 201903- p.Article in journal (Refereed) Published
Wereport on our results calculated from density functional theory andGW of the dehydrogenation properties in a cubic phase ofAlH3. The metallic nature of the electronic structure entails amore favorable hydrogen removal energy which is lowered by 75%compared to the insulating hexagonal phase. This remarkable reduction inthe Al–H bond strength bears important consequences for feasible applicationsof AlH3 as an on-board hydrogen storage material for mobileapplications. We suggest that the cubic phase could be preparedand stabilized experimentally at ambient pressure by off-board quenching.
Place, publisher, year, edition, pages
2008. Vol. 92, no 20, 201903- p.
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:uu:diva-97984DOI: 10.1063/1.2931083ISI: 000256196600017OAI: oai:DiVA.org:uu-97984DiVA: diva2:173133