Issue 18, 2016

Feeling the strain: enhancing ionic transport in olivine phosphate cathodes for Li- and Na-ion batteries through strain effects

Abstract

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 (including molecular dynamics) 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 for rechargeable batteries, and is relevant to the growing interest in developing thin film solid-state batteries.

Graphical abstract: Feeling the strain: enhancing ionic transport in olivine phosphate cathodes for Li- and Na-ion batteries through strain effects

Supplementary files

Article information

Article type
Paper
Submitted
20 Nov 2015
Accepted
21 Feb 2016
First published
03 Mar 2016
This article is Open Access
Creative Commons BY license

J. Mater. Chem. A, 2016,4, 6998-7004

Feeling the strain: enhancing ionic transport in olivine phosphate cathodes for Li- and Na-ion batteries through strain effects

C. Tealdi, J. Heath and M. S. Islam, J. Mater. Chem. A, 2016, 4, 6998 DOI: 10.1039/C5TA09418F

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