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Multiple diffusion pathways in LixNi0.77Co0.14Al0.09O2 (NCA) Li-ion battery cathodes

Ashton, TE; Baker, PJ; Bauer, D; Groves, AR; Sotelo-Vazquez, C; Kamiyama, T; Matsukawa, T; ... Darr, JA; + view all (2020) Multiple diffusion pathways in LixNi0.77Co0.14Al0.09O2 (NCA) Li-ion battery cathodes. Journal of Materials Chemistry A , 8 (23) pp. 11545-11552. 10.1039/d0ta03809a. Green open access

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Abstract

Experimental evidence for the presence of two computationally theorised diffusion pathways, namely the oxygen dumbbell hop (ODH) and tetrahedral site hop (TSH), has been given for the first time by muon spin relaxation (µSR) on sub-stoichiometric LixNi0.77Co0.14Al0.09O2. µSR has proven to be a powerful tool that is able to discriminate between diffusion pathways that occur on different timescales on a local level, where bulk electrochemical techniques cannot. Whereas the estimated values of DLi at lithium concentrations of 0.87 and 0.71 were found to be on the order of 10-11 by electrochemical impedance spectroscopy, contributions to diffusion from ODH and TSH were determined to be on the order of 10-11 and 10-10 cm2 s-1, and a factor of four decrease in Ea for both samples, in excellent agreement with theoretical calculations on related compounds. Rietveld refinement of both X-ray and neutron diffraction data was also used to interrogate the local structure of the materials where no contribution from Li+/Ni2+ cation mixing was observed.

Type: Article
Title: Multiple diffusion pathways in LixNi0.77Co0.14Al0.09O2 (NCA) Li-ion battery cathodes
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/d0ta03809a
Publisher version: https://doi.org/10.1039/d0ta03809a
Language: English
Additional information: This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. For more information see: http://creativecommons.org/licenses/by/3.0/
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10105501
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