Defect chemistry in layered Li M O 2 (M = Co, Ni, Mn, and Li 1/3Mn 2/3) by first-principles calculations

Chemistry of Materials

Volumn 24, Issue 20, 2012, Pages 3886-3894

  Koyama, Yukinori ^a   Arai, Hajime ^a   Tanaka, Isao ^a   Uchimoto, Yoshiharu ^a   Ogumi, Zempachi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

defect chemistry; electrode active material; electrode potential; first principles calculation; lithium ion battery; surface state

Indexed keywords

DEFECT CHEMISTRY; ELECTRODE ACTIVE MATERIALS; ELECTRODE POTENTIALS; FIRST-PRINCIPLES CALCULATION; LITHIUM-ION BATTERY;

CALCULATIONS; ELECTROCHEMICAL CELLS; LITHIUM BATTERIES; MANGANESE; MANGANESE COMPOUNDS; SURFACE DEFECTS; SURFACE STATES; TRANSITION METALS;

LITHIUM;

EID: 84867774542     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm3018314     Document Type: Article

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