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J Phys Chem B. 2006 Feb 23;110(7):3051-4. doi: 10.1021/jp0538565.

Synchrotron X-ray studies of Ti-doped NaAlH4.

The journal of physical chemistry. B

Patrizia Canton, Maximilian Fichtner, Christoph Frommen, Aline Léon

Affiliations

  1. Institut für Nanotechnologie, Forschungszentrum Karlsruhe GmbH, Postfach 3640, D-76021 Karlsruhe, Germany. [email protected]

PMID: 16494307 DOI: 10.1021/jp0538565

Abstract

Pure and doped NaAlH(4) with 5 mol % Ti on the basis of Ti(13).6THF have been investigated by means of X-ray synchrotron radiation. The Rietveld method has been used to study the possible substitution of Ti inside the NaAlH(4) structure and/or the presence of vacancies. This study indicates that there is no significant variation of the lattice parameter once the Na Alanate is doped with the Ti cluster. From the refinement of the site occupation factors, the substitution of Ti on the Na site can be excluded. A slight improvement was found when Ti was substituted on the Al site, but it is not significant enough to say that Ti definitely substitutes for Al in the Alanate phase. Additionally, there is no evidence for vacancy formation in Ti-colloid-doped sodium Alanate.

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