A first principles investigation of lithium intercalation in TiO2-B

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A first principles investigation of lithium intercalation in TiO2-B

The intercalation of lithium into the polymorph of titania, TiO2-B, has been examined using firstprinciples methods, based on the Generalized Gradient Approximation within density functionaltheory. Three symmetry unique sites have been identified for the preferential location of lithium withinthe st...

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Bibliographic Details
Main Authors:	Panduwinata, Dwi, Gale, Julian
Format:	Journal Article
Published:	The Royal Society of Chemistry 2009
Online Access:	http://hdl.handle.net/20.500.11937/24149

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