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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 40: Polymer and Molecular Dynamics, Friction and Rheology

CPP 40.2: Vortrag

Dienstag, 17. März 2020, 11:00–11:15, ZEU 255

Polymer electrolytes: how do they react upon application of an external electric field? — Alina Wettstein, Diddo Diddens, and •Andreas Heuer — Inst. Phys. Chemie, WWU Muenster, Germany

Polymer electrolytes are of utmost relevance for many applications of lithium ion batteries. Close to the electrodes they are exposed to high electric fields. Here we present extensive molecular dynamics simulations of a standard polymer electrolyte (poly(ethylene oxide) with a lithium salt) for different applied electric fields up to a few Volt per nanometer. We observe a prominent dependence of structural and dynamical properties on the electric field, reflecting nonlinear effects. It is shown that studying the field dependence allows one to characterize the motional mechanisms for the lithium transport in these electrolytes. Furthermore, several key questions can be answered: (1) Does the strong increase of the mobility upon increasing electric field result from the corresponding change of structural features? (2) Is it possible to identify the underlying reasons for structural field dependencies? Finally, the results are compared with corresponding experimental studies of the same system [1].

[1] M. Rosenwinkel and M. Schönhoff, J. Electrochem. Soc. 166, A1977-A1983 (2019).