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Issue 10, 2021
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Elucidating the nature of grain boundary resistance in lithium lanthanum titanate

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Abstract

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 < x < 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.

Graphical abstract: Elucidating the nature of grain boundary resistance in lithium lanthanum titanate

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Supplementary files

Article information


Submitted
26 Nov 2020
Accepted
29 Jan 2021
First published
29 Jan 2021

This article is Open Access

J. Mater. Chem. A, 2021,9, 6487-6498
Article type
Paper

Elucidating the nature of grain boundary resistance in lithium lanthanum titanate

A. R. Symington, M. Molinari, J. A. Dawson, J. M. Statham, J. Purton, P. Canepa and S. C. Parker, J. Mater. Chem. A, 2021, 9, 6487
DOI: 10.1039/D0TA11539H

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