Theoretical study of Li migration in lithium-graphite intercalation compounds with dispersion-corrected DFT methods

Journal of Physical Chemistry C

Volumn 118, Issue 5, 2014, Pages 2273-2280

  Thinius, Sascha ^a   Islam, Mazharul M ^a   Heitjans, Paul ^b   Bredow, Thomas ^a  

^a UNIVERSITY OF BONN   (Germany)

^b LEIBNIZ UNIVERSITY HANNOVER   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLOGRAPHIC AXIS; CRYSTALLOGRAPHIC DIRECTIONS; DIFFERENT MECHANISMS; EXPERIMENTAL INVESTIGATIONS; GRADIENT-CORRECTED DENSITY FUNCTIONAL THEORY; INTERCALATED COMPOUNDS; INTERLAYER INTERACTIONS; QUANTUM-CHEMICAL METHODS;

DEFECTS; DIFFUSION BARRIERS; DISPERSIONS; FERMI LEVEL; GRAPHITE; INTERCALATION; LITHIUM COMPOUNDS; POINT DEFECTS; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

LITHIUM;

EID: 84893847287     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp408945j     Document Type: Article

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