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Lithium intercalation in TiO2 modifications
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DOI：10.1039/a703935b.png)
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摘要
En 中文
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 Huckel 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).
Keyword:
INSERTED METAL-OXIDES
TITANIUM-DIOXIDE
ANATASE
RUTILE
BATTERIES
ELECTRODES
ELEMENTS
LITI2O4
SPINEL
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