Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction

Abstract Although the LiCoO2 (LCO) cathode material has been widely used in commercial lithium ion batteries (LIB) and shows high stability, LIB’s improvements have several challenges that still need to be overcome. In this paper, we have studied the in-operando structural properties of LCO within b...

Full description

Saved in:
Bibliographic Details
Main Authors: David Serban, Daniel G. Porter, Ahmed H. Mokhtar, Mansoor Nellikkal, Sivaperumal Uthayakumar, Min Zhang, Stephen P. Collins, Alessandro Bombardi, Peng Li, Christoph Rau, Marcus C. Newton
Format: Article
Language:English
Published: Nature Portfolio 2024-10-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-024-01331-y
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1850179793030479872
author David Serban
Daniel G. Porter
Ahmed H. Mokhtar
Mansoor Nellikkal
Sivaperumal Uthayakumar
Min Zhang
Stephen P. Collins
Alessandro Bombardi
Peng Li
Christoph Rau
Marcus C. Newton
author_facet David Serban
Daniel G. Porter
Ahmed H. Mokhtar
Mansoor Nellikkal
Sivaperumal Uthayakumar
Min Zhang
Stephen P. Collins
Alessandro Bombardi
Peng Li
Christoph Rau
Marcus C. Newton
author_sort David Serban
collection DOAJ
description Abstract Although the LiCoO2 (LCO) cathode material has been widely used in commercial lithium ion batteries (LIB) and shows high stability, LIB’s improvements have several challenges that still need to be overcome. In this paper, we have studied the in-operando structural properties of LCO within battery cells using Bragg Coherent X-ray Diffraction Imaging to identify ways to optimise the LCO batteries’ cycling. We have successfully reconstructed the X-ray scattering phase variation (a fingerprint of atomic displacement) within a  ≈ (1.6 × 1.4 × 1.3) μm3 LCO nanocrystal across a charge/discharge cycle. Reconstructions indicate strained domains forming, expanding, and fragmenting near the surface of the nanocrystal during charging, with a determined maximum relative lattice displacements of 0.467 Å. While discharging, all domains replicate in reverse the effects observed from the charging states, but with a lower maximum relative lattice displacements of 0.226 Å. These findings show the inefficiency-increasing domain dynamics within LCO lattices during cycling.
format Article
id doaj-art-c4744fa73cee40b78117c2526bcc079d
institution OA Journals
issn 2399-3669
language English
publishDate 2024-10-01
publisher Nature Portfolio
record_format Article
series Communications Chemistry
spelling doaj-art-c4744fa73cee40b78117c2526bcc079d2025-08-20T02:18:24ZengNature PortfolioCommunications Chemistry2399-36692024-10-01711910.1038/s42004-024-01331-yImaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffractionDavid Serban0Daniel G. Porter1Ahmed H. Mokhtar2Mansoor Nellikkal3Sivaperumal Uthayakumar4Min Zhang5Stephen P. Collins6Alessandro Bombardi7Peng Li8Christoph Rau9Marcus C. Newton10Department of Physics & Astronomy, University of SouthamptonDiamond Light Source, Harwell Oxford CampusDepartment of Physics & Astronomy, University of SouthamptonDepartment of Physics & Astronomy, University of SouthamptonDepartment of Physics, Royal Holloway, University of LondonSchool of Chemistry, University of SouthamptonDiamond Light Source, Harwell Oxford CampusDiamond Light Source, Harwell Oxford CampusDiamond Light Source, Harwell Oxford CampusDiamond Light Source, Harwell Oxford CampusDepartment of Physics & Astronomy, University of SouthamptonAbstract Although the LiCoO2 (LCO) cathode material has been widely used in commercial lithium ion batteries (LIB) and shows high stability, LIB’s improvements have several challenges that still need to be overcome. In this paper, we have studied the in-operando structural properties of LCO within battery cells using Bragg Coherent X-ray Diffraction Imaging to identify ways to optimise the LCO batteries’ cycling. We have successfully reconstructed the X-ray scattering phase variation (a fingerprint of atomic displacement) within a  ≈ (1.6 × 1.4 × 1.3) μm3 LCO nanocrystal across a charge/discharge cycle. Reconstructions indicate strained domains forming, expanding, and fragmenting near the surface of the nanocrystal during charging, with a determined maximum relative lattice displacements of 0.467 Å. While discharging, all domains replicate in reverse the effects observed from the charging states, but with a lower maximum relative lattice displacements of 0.226 Å. These findings show the inefficiency-increasing domain dynamics within LCO lattices during cycling.https://doi.org/10.1038/s42004-024-01331-y
spellingShingle David Serban
Daniel G. Porter
Ahmed H. Mokhtar
Mansoor Nellikkal
Sivaperumal Uthayakumar
Min Zhang
Stephen P. Collins
Alessandro Bombardi
Peng Li
Christoph Rau
Marcus C. Newton
Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction
Communications Chemistry
title Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction
title_full Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction
title_fullStr Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction
title_full_unstemmed Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction
title_short Imaging in-operando LiCoO2 nanocrystallites with Bragg coherent X-ray diffraction
title_sort imaging in operando licoo2 nanocrystallites with bragg coherent x ray diffraction
url https://doi.org/10.1038/s42004-024-01331-y
work_keys_str_mv AT davidserban imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT danielgporter imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT ahmedhmokhtar imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT mansoornellikkal imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT sivaperumaluthayakumar imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT minzhang imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT stephenpcollins imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT alessandrobombardi imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT pengli imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT christophrau imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction
AT marcuscnewton imaginginoperandolicoo2nanocrystalliteswithbraggcoherentxraydiffraction