Issue 25, 2019
From the journal:

Physical Chemistry Chemical Physics

LiAl5O8 as a potential coating material in lithium-ion batteries: a first principles study

Sijia Mo,a   Bingkai Zhang,a   Kecheng Zhang,a   Shunning Li*a  and  Feng Pan ORCID logo *a  

* Corresponding authors

a School of Advanced Materials, Peking University, Shenzhen Graduate School, Shenzhen 518055, People's Republic of China
E-mail: lisn@pkusz.edu.cn, panfeng@pkusz.edu.cn

Abstract

Coating materials in lithium-ion batteries (LIBs) have attracted extensive attention due to their ability to retard the decay of electrochemical performance in long-term cycling. Most of these coating materials, however, exhibit inferior ionic diffusivity. Herein, we report a novel coating material, LiAl5O8, which possesses a spinel-type structure. Our first principles calculation results show that the diffusion coefficient of Li ions in LiAl5O8 is over thirty orders of magnitude higher than that of Al2O3, and its electrochemical stability window is sufficiently wide, from 0.80 to 4.08 V versus Li/Li+. The facile Li ion diffusion pathways and high electrochemical stability make LiAl5O8 an effective coating material for next-generation LIBs.

Graphical abstract: LiAl5O8 as a potential coating material in lithium-ion batteries: a first principles study

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Article information

DOI
https://doi.org/10.1039/C9CP02650A
Article type
Paper
Submitted
10 May 2019
Accepted
30 May 2019
First published
30 May 2019

Phys. Chem. Chem. Phys., 2019,21, 13758-13765

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LiAl5O8 as a potential coating material in lithium-ion batteries: a first principles study

S. Mo, B. Zhang, K. Zhang, S. Li and F. Pan, Phys. Chem. Chem. Phys., 2019, 21, 13758 DOI: 10.1039/C9CP02650A

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