First principles calculations of solid-solid interfaces: An application to conversion materials for lithium-ion batteries

Journal of Materials Chemistry

Volumn 22, Issue 41, 2012, Pages 22063-22071

  Martin, L ^a,b   Vallverdu, G ^b   Martinez, H ^b   Le Cras, F ^a   Baraille, I ^b  

^a CEA GRENOBLE   (France)

^b UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL COMPOSITIONS; CONVERSION REACTIONS; ELECTRODE MATERIAL; FIRST-PRINCIPLES CALCULATION; GRAND POTENTIAL; LITHIUM-ION BATTERY; PERIODIC DENSITY FUNCTIONAL THEORY; SOLID-SOLID INTERFACES; STABLE SYSTEMS; STRUCTURAL MODELS;

DENSITY FUNCTIONAL THEORY; DIFFUSION IN SOLIDS; MODEL STRUCTURES;

INTERFACES (MATERIALS);

EID: 84867303473     PISSN: 09599428     EISSN: 13645501     Source Type: Journal    
DOI: 10.1039/c2jm35078e     Document Type: Article

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