Projects per year
Olivine-type phosphates have attracted considerable attention as cathode materials for rechargeable lithium batteries. Here, the defect and ion transport properties of the mixed-metal material LiFe0.5Mn0.5PO4 are investigated by atomistic modeling methods. The intrinsic defect type with the lowest energy is the cation antisite defect, in which Li and Fe/Mn ions exchange positions. As found in the LiFePO4 material, lithium ion diffusion in the mixed-metal system occurs down the b-axis channels following a curved path. Migration energies for Fe and Mn antisite cations on Li sites suggest that Mn defects Would Impede bulk Li mobility in LiFe0.5Mn0.5PO4 to a greater extent than Fe antisite defects in LiFePO4. Association or binding energies for various defect Clusters comprised of lithium vacancies and/or antisite cations arc examined.
THE ENERGY STORAGE CONSORTIUM - SUPERGEN LINKED WITH EE191X COLLABORATION - SUPERGEN CONSORTIUM WITH OTHER UNIS
14/02/06 → 13/10/10
Project: Research council
Gardiner, G. R., & Islam, M. S. (2010). Anti-Site Defects and Ion Migration in the LiFe0.5Mn0.5PO4 Mixed-Metal Cathode Material. Chemistry of Materials, 22(3), 1242-1248. https://doi.org/10.1021/cm902720z