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Stoichiometrically driven disorder and local diffusion in NMC cathodes

Ashton, TE; Baker, PJ; Sotelo-Vazquez, C; Footer, CJM; Kojima, KM; Matsukawa, T; Kamiyama, T; (2021) Stoichiometrically driven disorder and local diffusion in NMC cathodes. Journal of Materials Chemistry A , 9 (16) pp. 10477-10486. 10.1039/d1ta01639c. Green open access

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Abstract

Major structural differences in lithium nickel manganese cobalt oxides (NMC) prepared under identical conditions have been uncovered using neutron powder diffraction. Sample NMC-622 was obtained as a single R[3 with combining macron]m crystal structure with little defects, whereas NMC-811 showed significant Li deficiency and NMC-433 formed three distinct phases; ordered R[3 with combining macron]m, disordered R[3 with combining macron]m and a C2/m phase. Local diffusion behaviour was also studied by muon spin relaxation (μSR). It was observed that single phase R[3 with combining macron]m NMC-622 showed a higher lithium diffusion coefficient (4.4 × 10−11 cm2 s−1) compared to lithium deficient NMC-811 (2.9 × 10−11 cm2 s−1), or the highly disordered NMC-433 (3.4 × 10−11 cm2 s−1). Furthermore, activation energies for the Li diffusion process were estimated to be 58 meV, 61 meV and 28 meV for NMC-811, NMC-622 and NMC-433, respectively.

Type: Article
Title: Stoichiometrically driven disorder and local diffusion in NMC cathodes
Open access status: An open access version is available from UCL Discovery
DOI: 10.1039/d1ta01639c
Publisher version: https://doi.org/10.1039/d1ta01639c
Language: English
Additional information: This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (http://creativecommons.org/licenses/by/3.0/).
UCL classification: UCL
UCL > Provost and Vice Provost Offices
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/10127609
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