Issue 4, 2022

Factors that affect volume change during electrochemical cycling in cathode materials for lithium ion batteries

Abstract

Intergranular cracks originating from volume change during charging/discharging have been observed in many cathodes of lithium ion batteries, which are considered to be closely related to capacity fading. Using first principles calculations to systematically study the volume behavior of representative intercalation cathodes during delithiation, we have elucidated how Coulombic interaction and bond length affect the volume behaviors of cathodes with different structural flexibility. Jahn–Teller distortions, dopants, ionic radii, site-exchanges, and deintercalation mechanisms have also been discussed to account for the volume change of different cathode materials. This study attempts to give an integrated picture of volume change in typical lithium intercalation cathodes and strives to provide helpful clues to the design of high-capacity-maintaining cathodes.

Graphical abstract: Factors that affect volume change during electrochemical cycling in cathode materials for lithium ion batteries

Supplementary files

Article information

Article type
Paper
Submitted
03 Sep 2021
Accepted
07 Dec 2021
First published
21 Dec 2021

Phys. Chem. Chem. Phys., 2022,24, 2167-2175

Factors that affect volume change during electrochemical cycling in cathode materials for lithium ion batteries

Y. Wang, J. Liu, T. Chen, W. Lin and J. Zheng, Phys. Chem. Chem. Phys., 2022, 24, 2167 DOI: 10.1039/D1CP04049A

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