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Deciphering Transition Metal Diffusion in Anode Battery Materials: A Study on Nb Diffusion in NbxTi1−xO2
Department of Physics, Chalmers University of Technology, Göteborg, Sweden; Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden; Physik-Institut, Universität Zürich, Winterthurerstrasse 190, CH-8057, Zürich, Switzerland.
Centre for Materials Science and Nanotechnology, Department of Chemistry, Oslo University, Oslo, Norway.
Department of Chemistry Ångström Laboratory, Uppsala University, Uppsala, Sweden.
Neutron Science and Technology Center, Comprehensive Research Organization for Science and Society (CROSS), Tokai, Ibaraki, Japan.
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2025 (English)In: Carbon Energy, E-ISSN 2637-9368Article in journal (Refereed) Epub ahead of print
Abstract [en]

Demand for fast-charging lithium-ion batteries (LIBs) has escalated incredibly in the past few years. A conventional method to improve the performance is to chemically partly substitute the transition metal with another to increase its conductivity. In this study, we have chosen to investigate the lithium diffusion in doped anatase (TiO<inf>2</inf>) anodes for high-rate LIBs. Substitutional doping of TiO<inf>2</inf> with the pentavalent Nb has previously been shown to increase the high-rate performances of this anode material dramatically. Despite the conventional belief, we explicitly show that Nb is mobile and diffusing at room temperature, and different diffusion mechanisms are discussed. Diffusing Nb in TiO<inf>2</inf> has staggering implications concerning most chemically substituted LIBs and their performance. While the only mobile ion is typically asserted to be Li, this study clearly shows that the transition metals are also diffusing, together with the Li. This implies that a method that can hinder the diffusion of transition metals will increase the performance of our current LIBs even further.

Place, publisher, year, edition, pages
Wiley , 2025.
Keywords [en]
batteries, diffusion, electrocatalysis, energy storage and conversion, muon spin relaxation, TiO2, transition metal
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-366186DOI: 10.1002/cey2.70017ISI: 001500639200001Scopus ID: 2-s2.0-105007439512OAI: oai:DiVA.org:kth-366186DiVA, id: diva2:1981916
Note

QC 20250707

Available from: 2025-07-07 Created: 2025-07-07 Last updated: 2025-07-07Bibliographically approved

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Månsson, MartinSassa, Yasmine

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