Journal
CHEMICAL COMMUNICATIONS
Volume -, Issue 17, Pages 1822-1824Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b600679e
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The structure of a TiAl3Hx complex for the formation of a TiAl3 binary phase that could play important roles in the reversible de-/hydrogenation of Ti-doped NaAlH4 has been identified on the basis of first principles density functional theory studies.
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