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Elucidating the nature of grain boundary resistance in lithium lanthanum titanate

Lookup NU author(s): Dr James DawsonORCiD

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This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License (CC BY-NC 4.0).

Abstract

© The Royal Society of Chemistry 2021.Solid electrolytes for all-solid-state batteries are generating remarkable research interest as a means to improve the safety, stability and performance of rechargeable batteries. Solid electrolytes are often polycrystalline and the effect that grain boundaries have on the material properties is often not fully characterised. Here, we present a comprehensive molecular dynamics study that quantifies the effect of grain boundaries on Li-ion transport in perovskite Li3xLa(2/3)−xTiO3(0 < 0.16) (LLTO). Our results predict that grain boundaries hinder Li-ion conductivity by 1 to 2 orders of magnitude compared to the bulk. We attribute the poor Li-ion conductivity of the grain boundaries to significant structural alterations at the grain boundaries. Our detailed analysis provides important insight into the influence of grain boundary structure on transport of Li-ions in solid electrolyte materials.

Publication metadata

Author(s): Symington AR, Molinari M, Dawson JA, Statham JM, Purton J, Canepa P, Parker SC

Publication type: Article

Publication status: Published

Journal: Journal of Materials Chemistry A

Year: 2021

Volume: 9

Issue: 10

Pages: 6487-6498

Online publication date: 29/01/2021

Acceptance date: 29/01/2021

Date deposited: 02/04/2021

ISSN (print): 2050-7488

ISSN (electronic): 2050-7496

Publisher: Royal Society of Chemistry

URL: https://doi.org/10.1039/D0TA11539H

DOI: 10.1039/D0TA11539H

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