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

โœ Scribed by Persson, Kristin; Hinuma, Yoyo; Meng, Ying Shirley; Van der Ven, Anton; Ceder, Gerbrand

Book ID
120443976
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
683 KB
Volume
82
Category
Article
ISSN
1098-0121

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Thermodynamic and kinetic properties of
Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
โœ Persson, Kristin; Hinuma, Yoyo; Meng, Ying Shirley; Van der Ven, Anton; Ceder, G ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› The American Physical Society ๐ŸŒ English โš– 683 KB

We present an ab initio study of the thermodynamics and kinetics of Li x C 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-functional theory อ‘DFTอ’. By ca