Simulation studies on electrodes and electrolytes for electric double layer capacitors

Abstract

In this dissertation, different capacitor systems are investigated by means of computer simulations. The basic aim of the simulation studies is to contribute towards a better understanding of the interplay of carbon electrodes in various geometries with ionic liquid-based electrolytes. A large focus lies on electrode modeling with an applied external voltage. How these models and underlying methods affect the behavior of electrolyte molecules at the solid-liquid interface as well as the performance of the systems as energy storage devices is a central question of this study.