Issue 17, 2006
From the journal:

Chemical Communications

A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4†

Jianjun Liua  and  Qingfeng Ge*a  

* Corresponding authors

a Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, USA
E-mail: qge@chem.siu.edu
Fax: 1-618-453-6408
Tel: 1-618-453-6406

Abstract

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.

Graphical abstract: A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4

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Article information

DOI
https://doi.org/10.1039/B600679E
Article type
Communication
Submitted
18 Jan 2006
Accepted
16 Mar 2006
First published
28 Mar 2006

Chem. Commun., 2006, 1822-1824

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A precursor state for formation of TiAl3 complex in reversible hydrogen desorption/adsorption from Ti-doped NaAlH4

J. Liu and Q. Ge, Chem. Commun., 2006, 1822 DOI: 10.1039/B600679E

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