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  • Calculations of Li-Ion Diffusion in Olivine Phosphates
    [作者:DATHAR GOPI KRISHNA PHANI; SHEPPARD DANIEL; STEVENSON KEITH J; HENKELMAN GRAEME,期刊:Chemistry of Materials, 页码:4032-4037 , 文章类型: Article,,卷期:2011年23-17]
  • Kinetic pathways of Li-ion diffusion in olivine phosphates are calculated from density functional theory (DFT). Previously reported theoretical diffusion rates for Li ions and vacancies in defect-free crystalline FePO(4)...