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...
| Main Authors: | , |
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| Format: | Journal Article |
| Published: |
The Royal Society of Chemistry
2009
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| Online Access: | http://hdl.handle.net/20.500.11937/24149 |