Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations

We present an ab initio study of the thermodynamics and kinetics of Li [subscript x]C[subscript 6], relevant for anode Li intercalation in rechargeable Li batteries. In graphite, the interlayer interactions are dominated by Van der Waals forces, which are not captured with standard density-functiona...

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Bibliographic Details
Main Authors: Ceder, Gerbrand (Contributor), Persson, Kristin A. (Author), Hinuma, Yoyo (Author), Meng, Ying Shirley (Author), Van der Ven, Anton (Author)
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2011-02-16T17:38:23Z.
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