Regensburg 2025 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 32: Poster Session II
CPP 32.20: Poster
Donnerstag, 20. März 2025, 09:30–12:00, P3
Ionic transport race between lithium and sodium in non-aqueous electrolytes — •Chinwendu Nancy Anabaraonye1,2, Diddo Diddens3, and Andreas Heuer1,3 — 1Institute of Physical Chemistry, University of Münster, Corrensstraße 28/30, 48149 Münster, Germany — 2International Graduate School for Battery Chemistry, Characterization, Analysis, Recycling and Application (BACCARA), University of Münster, Corrensstr. 40, 48149 Münster, Germany — 3Helmholtz Institute Mnster (IEK-12),Forschungszentrum Jülich GmbH, 48149 Münster,Germany;
The need to meet the storage requirements of energy systems safely and efficiently has led to research into electrolytes other than the commonly used lithium-ion batteries. While the lithium-ion battery is the clear market leader, there is increasing interest in sodium-ion batteries, which are cheaper and more abundant. The present work is a comparative study of the transport properties of lithium hexafluorophosphate (LiPF6) and sodium hexafluorophosphate (NaPF6) in carbonate electrolytes consisting of ethylene carbonate (EC) and ethyl methyl carbonate (EMC). Using molecular dynamics simulations, we analyse the influence of EC ratio and salt concentrations on the solvation structure and how this affects the ionic transport properties such as diffusivity and ionic conductivity of the system. Our results show higher conductivity and diffusivity of Na compared to Li for the analysed systems. Optimal ionic conductivity for Na was achieved above 1 M concentration, in contrast to Li. Overall, we observed differences in the coordination and mobilities of lithium and sodium cations.
Keywords: Ionic conductivity; Sodium electrolyte; Lithium electrolyte; Diffusivity; ionic transport