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In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials

Title data

Goonetilleke, Damian ; Suard, Emmanuelle ; Bergner, Benjamin ; Janek, Jürgen ; Brezesinski, Torsten ; Bianchini, Matteo:
In situ neutron diffraction to investigate the solid-state synthesis of Ni-rich cathode materials.
In: Journal of Applied Crystallography. Vol. 56 (2023) Issue 4 . - pp. 1066-1075.
ISSN 1600-5767
DOI: https://doi.org/10.1107/S1600576723004909

Official URL: Volltext

Abstract in another language

Studying chemical reactions in real time can provide unparalleled insight into the evolution of intermediate species and can provide guidance to optimize the reaction conditions. For solid-state synthesis reactions, powder diffraction has been demonstrated as an effective tool for resolving the structural evolution taking place upon heating. The synthesis of layered Ni-rich transition-metal oxides at a large scale (grams to kilograms) is highly relevant as these materials are commonly employed as cathodes for Li-ion batteries. In this work, ıt in situ neutron diffraction was used to monitor the reaction mechanism during the high-temperature synthesis of Ni-rich cathode materials with a varying ratio of Ni:Mn from industrially relevant hydroxide precursors. Rietveld refinement was further used to model the observed phase evolution during synthesis and compare the behaviour of the materials as a function of temperature. The results presented herein confirm the suitability of ıt in situ neutron diffraction to investigate the synthesis of batches of several grams of electrode materials with well-controlled stoichiometry. Furthermore, monitoring the structural evolution of the mixtures with varying Ni:Mn content in real time reveals a delayed onset of li\-thia\-tion as the Mn content is increased, necessitating the use of higher annealing temperatures to achieve layering.

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: in situ neutron diffraction; synthesis; cathodes; Ni rich; solid state; high annealing temperatures; Rietveld refinement; lithiation
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Lehrstuhl Anorganische Aktivmaterialien für elektrochemische Energiespeicher > Lehrstuhl Anorganische Aktivmaterialien für elektrochemische Energiespeicher - Univ.-Prof. Dr. Matteo Bianchini
Research Institutions
Research Institutions > Central research institutes
Research Institutions > Central research institutes > Bayerisches Zentrum für Batterietechnik - BayBatt
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Lehrstuhl Anorganische Aktivmaterialien für elektrochemische Energiespeicher
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 540 Chemistry
600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 14 Oct 2023 21:01
Last Modified: 22 Jan 2024 12:13
URI: https://eref.uni-bayreuth.de/id/eprint/87201