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Catalyzed rehydrogenation of NaAlH4: Ti and friends are active on NaH surfaces; Pt and friends are not

Frankcombe, Terry


Density functional theory calculations have been performed on slabs of NaH doped with transition metals. These calculations suggest barrierless dissociative chemisorption of H2 onto Sc, Ti, and V dopant sites, while indicating that Rh and Pt do not suppor

CollectionsANU Research Publications
Date published: 2013
Type: Journal article
Source: Journal of Physical Chemistry C
DOI: 10.1021/jp311478y


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