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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 17: Poster I

CPP 17.34: Poster

Montag, 9. März 2026, 19:00–21:00, P5

Tracing the Path from Solvation to Transport in Lithium and Sodium Electrolytes — •Chinwendu Nancy Anabaraonye^1,2, Diddo Diddens³, and Andreas Heuer^1,2 — 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 — ³Forschungszentrum Jülich GmbH, Helmholtz-Institute Münster (IMD-4), Corrensstraße 48, 48149 Münster, Germany

Advancing technology continues to increase demands on energy storage devices and their performance requirements. Over the years, lithium-ion batteries have consistently remained the market leader. However, their long-term sustainability remains questionable due to the limited lithium reserves. Therefore, there is need for increased research toward alternative battery chemistries, among which are sodium-ion batteries. 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). Based on molecular dynamics simulations, we analyse the influence of EC ratio and salt concentrations on the solvation structure with particular focus on the formation of contact ion pairs (CIP), solvent-seperated ion pairs (SSIP) and ion aggregates and how this correlates with the ionic transports within the systems.

Keywords: Lithium electrolyte; Sodium electrolyte; Ionic transport; Contact ion pairs; Solvent-separated ion pairs