Dresden 2011 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 36: Poster: Nanoparticles and Composite Materials

CPP 36.23: Poster

Mittwoch, 16. März 2011, 17:00–19:00, P2

Ion transport mechanisms in ternary mixtures of polymer electrolytes and ionic liquids - a molecular dynamics simulation study — •Diddo Diddens^1,2 and Andreas Heuer^1,2 — ¹Institut für physikalische Chemie, Universität Münster, Corrensstraße 30, 48149 Münster, Germany — ²NRW Graduate School of Chemistry, Corrensstraße 36, 48149 Münster, Germany

Electrolytes based on mixtures of lithium salts and poly(ethylene oxide) (PEO) are important candidates for modern lithium ion batteries used in electronic devices. Unfortunately, in case of the common binary electrolytes like PEO/lithium-bis(trifluoromethane sulfonimide) (LiTFSI), the ionic conductivity is too low for technological use. Among several other attempts that have been made to overcome this deficiency, the incorporation of room temperature ionic liquids (RTILs) into these materials promise a significant improvement, as the ionic conductivity is increased about an order of magnitude at room temperature, thus making them an ideal compromise between solid and liquid electrolytes. Based on these experimental findings, we study the underlying microscopic transport mechanisms by means of MD simulations. The transport mechanisms are discussed in context with our insights from a previous study of the binary PEO/LiTFSI electrolyte, thus pointing out the microscopic processes relevant for macroscopic ion transport.