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

Olivine-type phosphates LiFePO 4 and NaFePO 4 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 simula...

Full description

Saved in:
Bibliographic Details
Published in:Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2016-01, Vol.4 (18), p.6998-74
Main Authors: Tealdi, Cristina, Heath, Jennifer, Islam, M. Saiful
Format: Article
Language:English
Subjects:
Cathodes
Defects
Electronics
Lattice strain
Molecular dynamics
Phosphates
Rechargeable batteries
Strain
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Olivine-type phosphates LiFePO 4 and NaFePO 4 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 LiFePO 4 and NaFePO 4 , 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. Olivine-type phosphates LiFePO 4 and NaFePO 4 are among the most widely studied cathode materials for rechargeable batteries. Here we show that tensile strain applied perpendicularly to the alkali-ion migration channels will improve their intercalation properties.
ISSN:2050-7488
2050-7496
DOI:10.1039/c5ta09418f