Monte Carlo Simulations of a simple Model for Charge Storage in a Single-file Nanopore
Abstract
This Master's thesis is focused upon charge storage in a nanopore of a capacitor. It introduces a simple model, where the only present interactions are electrostatic and steric effects, which allows only one ion to be at a lattice point. The nanopore which is modelled is a defect nanopore, where only the end of the pore interior has the potential of the electrode. Monte Carlo simulations are used for studying the behaviour of the model. Interesting behaviour found in the model is overscreening, charge density oscillations and oscillating differential capacitance as function of the imposed charge, which all disappear at high temperatures. If the electrolyte is a filled ionic liquid, the differential capacitance curves are found to have camel-shape. When the electrolyte is diluted, the peaks of the oscillating differential capacitance are shifted and at the point of zero charge the differential capacitance has a bell-shape. This findings are the opposite of when the ions are not confined, studied previously as a flat capacitor by Démery et al.