The Physical Properties of Room Temperature Ionic Liquids Near Electrified Surfaces: A Simulation Study

Tuesday, May 13, 2014: 15:20
Floridian Ballroom J, Lobby Level (Hilton Orlando Bonnet Creek)
Z. HU (UNIVERSITY OF UTAH), J. Vatamanu (University of Utah), and D. Bedrov (The University of Utah)
The influence of the electrode geometry and electrolyte chemical structure on the electrode-electrolyte interfacial properties and electrode capacity are discussed based on an extensive theoretical study of several room temperature ionic liquids near flat, corrugated and curved electrodes. The flat and curved electrode surface generates a weakly changing capacitance versus potential for a large variety of electrolytes investigated. However, a dramatically different behavior of capacity, and enhanced capacities were observed for rough electrodes. An atomistic explanation of the observed electrode-electrolyte structure and its implication on capacity dependence on voltage will be proposed. We will review and discuss possible origins of several major discrepancies experiment-theory regarding the prediction of electrode differential capacitance shape versus potential and the controversial issue of temperature dependence of the capacitance.