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Feeling the Strain: Enhancing Ionic Transport in LiFePO4 and NaFePO4 Cathodes through Strain Effects

Tuesday, 21 June 2016
Riverside Center (Hyatt Regency)
J. Heath (University of Bath), C. Tealdi (University of Pavia), and M. S. Islam (University of Bath)
Olivine-type phosphates LiFePO4 and NaFePO4 are among the most widely studied cathode materials for rechargeable batteries. To improve their rate behaviour for future electronic and vehicle applications, it is vital that the Li+ and Na+ conductivities be enhanced. In this study atomistic simulation methods are used to investigate the effect of lattice strain on ion transport and defect formation in olivine-type LiFePO4 and NaFePO4, as these properties are directly related to their intercalation behaviour. The results suggest that lattice strain can have a remarkable effect on the rate performance of cathode materials, with a major increase in the ionic conductivity and decrease in blocking defects at room temperature. Such understanding is important for the future optimization of high-rate cathodes, and is relevant to the growing interest in developing thin film solid-state batteries. In addition, complementary simulation work was carried out to compare the olivine and maricite forms of NaFePO4, specifically their defect and Na-ion conduction properties.