Stability, composition and properties of Li2FeSiO4 surfaces studied by DFT

Journal of Solid State Electrochemistry

Volumn 18, Issue 5, 2014, Pages 1401-1413

  Hormann N G ^a   Gross A ^a  

^a HELMHOLTZ INSTITUTE ULM HIU   (Germany)

Author keywords

Density functional theory calculations; Electrodes; Li ion batteries; Silicate; Surface energies; Wulff shape

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRODES; INTERFACIAL ENERGY; SILICATES;

EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; LI-ION BATTERIES; STOICHIOMETRIC SURFACES; SURFACE TERMINATION; THERMODYNAMIC EQUILIBRIA; WULFF SHAPE;

LITHIUM;

EID: 84901635219     PISSN: 14328488     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10008-013-2189-x     Document Type: Article

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