First-principles theory of cation and intercalation ordering in LixCoO2

Journal of Power Sources

Volumn 81-82, Issue , 1999, Pages 680-684

  Wolverton, C ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

First principles total energies; Li intercalation; LiCoO2; Ordering; Spinel

Indexed keywords

CATHODES; GROUND STATE; INTERCALATION COMPOUNDS; NUMERICAL METHODS; ORDER DISORDER TRANSITIONS; POSITIVE IONS; QUANTUM THEORY; TEMPERATURE MEASUREMENT; VOLTAGE MEASUREMENT;

BATTERY CATHODE MATERIAL; BATTERY VOLTAGE; FIRST PRINCIPLES THEORY; ORDERING; QUANTUM MECHANICAL PREDICTIONS; STABLE SPINEL STRUCTURE; STATE OF PARTIAL DISORDER; VOLTAGE CATHODES;

LITHIUM COMPOUNDS;

EID: 0033184697     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0378-7753(99)00237-2     Document Type: Article

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