Tuning Li occupancy and local structures for advanced Co-free Ni-rich positive electrodes
Li, Hang (Institute for Applied Materials)
Liu, Hao (Institute for Applied Materials)
Luo, Shunrui (Institut Català de Nanociència i Nanotecnologia)
Arbiol i Cobos, Jordi (Institut Català de Nanociència i Nanotecnologia)
Suard, Emmanuelle (Institute Laue-Langevin)
Bergfeldt, Thomas (Institute for Applied Materials)
Missyul, Alexander (ALBA Laboratori de Llum de Sincrotró)
Baran, Volodymyr (Deutsches Elektronen-Synchrotron)
Mangold, Stefan (Institute for Photon Science and Synchrotron Radiation)
Zhang, Yongchao (Institut Català de Nanociència i Nanotecnologia)
Hua, Weibo (Xi'an Jiaotong University)
Knapp, Michael (Institute for Applied Materials)
Ehrenberg, Helmut (Institute for Applied Materials)
Pan, Feng (Peking University Shenzhen Graduate School)
Indris, Sylvio (Université Mohammed VI Polytechnique)

Date:	2025
Abstract:	Structure evolution and surface reactivity have long been regarded as the most crucial points for studying Ni-rich positive electrodes for Li-ion batteries. Unfortunately, the influence of Li occupancy as a single factor on electro-chemomechanical stability has been overlooked and is missing, owing to the challenge of Li determination in the lattice. Here, a comprehensive analysis reveals different Li occupancies and related structural domains (Ni/Li exchange, LiaXOb, Li/Mn/X(Ni) ordering domains, X = Nb5+, W6+, and Mo6+) by using a combination of Li-sensitive characterization techniques. By introducing a Li-regulation strategy, the relative ratio of each domain is effectively tuned in the Ni-rich positive electrodes. Through tuning, two specific positive electrodes are designed, exhibiting notable improvement in battery cyclability. The specific Li structural units induce significant changes in redox mechanisms. This Li-occupancy-tuning approach highlights the necessity of focusing on Li distribution and opens up ideas for designing advanced Ni-rich positive electrodes with high durability.
Grants:	Agència de Gestió d'Ajuts Universitaris i de Recerca 2021/SGR-00457 Agencia Estatal de Investigación PID2020-116093RB-C43 Agencia Estatal de Investigación CEX2021-001214-S
Rights:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original.
Language:	Anglès
Document:	Article ; recerca ; Versió publicada
Published in:	Nature communications, Vol. 16 (March 2025) , art. 2203, ISSN 2041-1723

DOI: 10.1038/s41467-025-57063-7
PMID: 40044666

12 p, 2.5 MB

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Research literature > UAB research groups literature > Research Centres and Groups (research output) > Experimental sciences > Catalan Institute of Nanoscience and Nanotechnology (ICN2)
Research literature > UAB research groups literature > Research Centres and Groups (research output) > Experimental sciences > The ALBA Synchrotron
Articles > Research articles
Articles > Published articles