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Communication
Chem. Commun., 2006, 1822 - 1824, DOI: 10.1039/b600679e
A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4
Jianjun Liu and Qingfeng Ge
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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