The structural behavior of electrochemically delithiated LixNi0.8Co0.15Al0.05O2 (x<1) battery cathodes

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dc.contributor.authorHölderle, Ten_AU
dc.contributor.authorMonchak, Men_AU
dc.contributor.authorBaran, Ven_AU
dc.contributor.authorDolotko, Oen_AU
dc.contributor.authorBette, Sen_AU
dc.contributor.authorMikhailova, Den_AU
dc.contributor.authorVoss, Aen_AU
dc.contributor.authorAvdeev, Men_AU
dc.contributor.authorEhrenberg, Hen_AU
dc.contributor.authorMüller-Buschbaum, Pen_AU
dc.contributor.authorSenyshyn, Aen_AU
dc.date.accessioned2024-12-05T23:02:37Zen_AU
dc.date.available2024-12-05T23:02:37Zen_AU
dc.date.issued2023-04-30en_AU
dc.date.statistics2024-04-23en_AU
dc.description.abstractA full series of variously delithiated LixNi0.8Co0.15Al0.05O2 (NCA) (x < 1) battery cathodes is extracted from cylinder Li-ion batteries of 18650-type, and structural studies of electrode materials are performed ex situ applying high-resolution neutron powder diffraction. A set of structural and microstructural parameters at different state-of-charges (SOC) is gathered from full-profile Rietveld refinements. Accurate cell metrics of the NCA lattice are obtained and compared for both, ex situ and operando modes of data collection. A detailed analysis of lithium occupancies and interatomic distances in the NCA cathode is carried out, revealing a shrinking material response of the NCA structure during delithiation, while the experimental quantification of Li/Ni cation mixing showed an SOC independent behavior. The observed deintercalation driven anisotropic broadening of the Bragg reflections in real-life NCA cathodes were analyzed and assigned to an increasing internal anisotropic microstrain, which is linked to the non-uniform distribution of Li in the structure of NCA, resulting in an unstable and unpredictable performance of LIBs. © 2023 Elsevier B.V.en_AU
dc.description.sponsorshipThe authors gratefully acknowledge the financial support provided by the Heinz Maier-Leibnitz Zentrum (Technische Universität München), German Federal Ministry of Education and Research (BMBF project 05K16VK2 and 05K19VK3) and German Research Foundation (DFG, projects EH 183/15-1, SE 2376/1-1]). This work contributes to the research performed at CELEST (Center for Electrochemical Energy Storage Ulm-Karlsruhe). Authors thank the Heinz Maier-Leibnitz Zentrum for the provision of beamtime and access to their infrastructure.en_AU
dc.identifier.articlenumber232799en_AU
dc.identifier.citationHölderle, T., Monchak, M., Baran, V., Dolotko, O., Bette, S., Mikhailova, D., Voss, A., Avdeev, M., Ehrenberg, H., Müller-Buschbaum, P., & Senyshyn, A. (2023). The structural behavior of electrochemically delithiated LixNi0.8Co0.15Al0.05O2 (x<1) battery cathodes. Journal of Power Sources, 564, 232799. doi:10.1016/j.jpowsour.2023.232799en_AU
dc.identifier.issn0378-7753en_AU
dc.identifier.journaltitleJournal of Power Sourcesen_AU
dc.identifier.urihttps://doi.org/10.1016/j.jpowsour.2023.232799en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15791en_AU
dc.identifier.volume564en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectCathodesen_AU
dc.subjectLithium ion batteriesen_AU
dc.subjectLithium alloysen_AU
dc.subjectElectrochemistryen_AU
dc.subjectBragg reflectionen_AU
dc.subjectStructural chemical analysisen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectBragg reflectionen_AU
dc.titleThe structural behavior of electrochemically delithiated LixNi0.8Co0.15Al0.05O2 (x<1) battery cathodesen_AU
dc.typeJournal Articleen_AU
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