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Issue 12, 1997
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Lithium intercalation in TiO2 modifications

Abstract

Lithium intercalation in anatase and TiO2 (B), a synthetic TiO2 polymorph, is analyzed from approximate crystal orbital calculations. As a consequence of lithium incorporation, weak Ti–Ti bonding interactions are formed in both compounds. These bonding interactions lead to one-dimensional zigzag chains in the frameworks of anatase and TiO2 (B). Extended Hückel calculations show that a small distortion of the anatase network is required to achieve Ti–Ti bonds, whereas such a distortion is not necessary in TiO2 (B).

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Article information


J. Mater. Chem., 1997,7, 2529-2536
Article type
Paper

Lithium intercalation in TiO2 modifications

G. Nuspl, K. Yoshizawa and T. Yamabe, J. Mater. Chem., 1997, 7, 2529
DOI: 10.1039/A703935B

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