First-principles study of lithium borocarbide as a cathode material for rechargeable Li ion batteries

Journal of Physical Chemistry Letters

Volumn 2, Issue 10, 2011, Pages 1129-1132

  Xu, Qiang ^a   Ban, Chunmei ^a   Dillon, Anne C ^a   Wei, Su Huai ^a   Zhao, Yufeng ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATHODE MATERIALS; COMPUTATIONAL SIMULATION; DISCHARGING PROCESS; ELECTROCHEMICAL REACTIONS; FIRST-PRINCIPLES STUDY; HIGH-CAPACITY; INTERCALATION HOSTS; LI-ION BATTERIES; LITHIUM BOROCARBIDE; LITHIUM METALS; LITHIUM-ION BATTERY; POTENTIAL APPLICATIONS; SPECIFIC ENERGY DENSITY; VOLUME CHANGE; VOLUMETRIC ENERGY DENSITIES;

BORON CARBIDE; CATHODES; DENSITY FUNCTIONAL THEORY; GRAPHENE; GRAPHITE; IONS; LITHIUM COMPOUNDS;

LITHIUM;

EID: 79957599729     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz200440m     Document Type: Article

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