Density functional investigation on Li 2MnO 3

Chemistry of Materials

Volumn 24, Issue 21, 2012, Pages 4242-4251

  Xiao, Ruijuan ^a   Li, Hong ^a   Chen, Liquan ^a  

^a INSTITUTE OF PHYSICS   (China)

Author keywords

density functional theory calculations; lithium ion diffusion; lithium manganese oxide; oxygen release

Indexed keywords

CHARGE COMPENSATION; DE-LITHIATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY FUNCTIONALS; ELECTROCHEMICAL CYCLE; ENTHALPY CHANGE; EVOLUTION OF OXYGEN; LAYERED MATERIAL; LITHIUM DIFFUSION; LITHIUM ION DIFFUSION; LITHIUM MANGANESE OXIDE; LITHIUM STORAGE CAPACITY; LITHIUM STORAGES; NUDGED ELASTIC BAND METHODS; OXYGEN RELEASE; REDOX MECHANISM; STRUCTURE EVOLUTION;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; GROUND STATE; MANGANESE; MANGANESE OXIDE; MOLECULAR DYNAMICS; OXYGEN; TRANSITION METALS;

LITHIUM;

EID: 84869076259     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm3027219     Document Type: Article

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