Defect thermodynamics and diffusion mechanisms in Li2CO 3 and implications for the solid electrolyte interphase in Li-ion batteries

Journal of Physical Chemistry C

Volumn 117, Issue 17, 2013, Pages 8579-8593

  Shi, Siqi ^a,d   Qi, Yue ^b   Li, Hong ^c   Hector, Louis G ^b  

^a Brown University   (United States)

^b GENERAL MOTORS CORPORATION   (United States)

^c INSTITUTE OF PHYSICS   (China)

^d SHANGHAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORIES (DFT); DIFFUSION MECHANISMS; FIRST-PRINCIPLES CALCULATION; LITHIUM-ION BATTERY; NUDGED ELASTIC BAND METHODS; ORDERS OF MAGNITUDE; SOLID ELECTROLYTE INTERPHASE; SOLID ELECTROLYTE INTERPHASE FILM;

ANODES; CALCULATIONS; CARRIER CONCENTRATION; CATHODES; DENSITY FUNCTIONAL THEORY; DIFFUSION BARRIERS; GRAPHITE; IONS; LITHIUM; LITHIUM COMPOUNDS; POINT DEFECTS; SEEBECK EFFECT; SEMICONDUCTOR DOPING; SOLID ELECTROLYTES; THERMODYNAMICS; VACANCIES;

LITHIUM BATTERIES;

EID: 84877014472     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp310591u     Document Type: Article

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