0588312 - ÚJF 2025 RIV NL eng J - Journal Article
Moller, S. - Schwab, C. - Seidlmayer, S. - Clausnitzer, M. - Rosen, M. - Hormann, J. - Mann, M. - Cannavó, Antonino - Ceccio, Giovanni - Vacík, Jiří - Mouzakka, K. F. - Danner, T. - Latz, A. - Gilles, R. - Finsterbusch, M.
The Li battery digital twin – Combining 4D modelling, electro-chemistry, neutron, and ion-beam techniques.
Journal of Power Sources. Roč. 610, AUG (2024), č. článku 234681. ISSN 0378-7753. E-ISSN 1873-2755
R&D Projects: GA MŠMT EF16_013/0001812
Research Infrastructure: CICRR - 90241
Institutional support: RVO:61389005
Keywords : Ion-beam-analysis * All-solid-state batteries * Material analysis * Neutron-depth profiling * Li batteries
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 8.1, year: 2023 ; AIS: 1.481, rok: 2023
Method of publishing: Open access
Result website:
https://doi.org/10.1016/j.jpowsour.2024.234681DOI: https://doi.org/10.1016/j.jpowsour.2024.234681

Knowledge driven materials and component design is key for improving the performance of Li-ion batteries and solving the remaining hurdles for next-generation battery concepts like all-solid-state batteries. While the spatial and time dependent distribution of Li would help elucidating performance bottlenecks and degradation phenomena, only a few analysis techniques are available, due to the unique nature of Li, especially as Li+-ion. In fact, only two non-destructive techniques with good time resolution can combine spatial information with absolute quantification of Li, one being Neutron Depth Profiling (NDP), the other Ion-Beam-Analysis (IBA). While both exploit nuclear processes, the information gained is complementary. NDP provides high depth resolution, but only limited lateral resolution, whereas IBA has high lateral, but only limited depth resolution. In this study, we benchmark both techniques for the first time using a set of Li-battery test-samples and show the strengths and synergies of both techniques. The derived information regarding the depth dependent Li-concentration is then used to validate a microstructure resolved continuum model of charge, discharge, and relaxation behavior of the cells and electro-chemical analysis. This fundamental work demonstrates a new route to optimize Li batteries on material and component level by combining advanced characterization and digital twin modelling.
Permanent Link: https://hdl.handle.net/11104/0355228