Regensburg 2025 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 8: Materials for the Storage and Conversion of Energy (joint session MM/KFM)
MM 8.1: Talk
Monday, March 17, 2025, 17:15–17:30, H22
Lithium diffusion pathways in modern solid state Li conductors — •Mykhaylo Monchak1, Volodymyr Baran2, Stefan Strangmüller3, and Anatoliy Senyshyn3 — 1Institut für Angewandte Materialien, Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen, Germany — 2Deutsches Elektronen Synchrotron, 22607 Hamburg, Germany — 3Heinz Maier-Leibnitz Zentrum, Technical University of Munich, 85748 Garching, Germany
The rapid development of energy storage demands cheaper, more robust electrode and electrolyte materials with improved electrochemical performance. Energy storage and conversion primarily rely on diffusion-based processes, making understanding diffusion pathways crucial. However, determining diffusion pathways in polycrystalline (non-cubic) materials is challenging using bulk or local measurements. Theoretical approaches like molecular dynamics simulations face numerous computational limitations. Alternatively, diffusion processes can be predicted from crystal structures using scattering density maps (electron for X-ray or nuclear for neutrons). These maps analyzed via probability density functions or reconstructed through the maximum entropy method (MEM) are highly reliable. MEM is particularly effective for powder-averaged diffraction data, detecting weak structural disorders. This study applies high-resolution neutron powder diffraction and MEM analysis to explore state-of-the-art lithium conductors considered for application in all-solid-state Li-ion batteries, providing insights into their diffusion pathways and systematics.
Keywords: superionic conductor; neutron diffraction; maximum entropy method; lithium pathways; ionic transport