Simulations of ionic liquids confined by metal electrodes using periodic Green functions

Abstract

We present an efficient method for simulating Coulomb systems confined by metal electrodes. The approach relies on Green functions techniques to obtain the electrostatic potential for an infinite periodically replicated system. This avoids the use of image charges or an explicit calculation of the induced surface charge, both of which dramatically slows down the simulations. To demonstrate the utility of the new method we use it to obtain the ionic density profiles and the differential capacitances, which are of great practical and heoretical interest, for a lattice model of an ionic liquid.

References in corpus (5)

• The electric double layer has a life of its own
• Simulations of Coulomb systems with slab geometry using an efficient 3d Ewald summation method
• Electrostatics of ions inside the nanopores and trans-membrane channels
• Lattice Model of an Ionic Liquid at an Electrified Interface
• Thermal and structural properties of ionic fluids

Cited by in corpus (8)

• Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions
• Like-Charge Attraction between Metal Nanoparticles in a 1:1 Electrolyte Solution
• A molecular perspective on induced charges on a metallic surface
• The Symmetry-Preserving Mean Field Condition for Electrostatic Correlations in Bulk
• Effect of proximity to ionic liquid-solvent demixing on electrical double layers
• Modulation of ionic conduction using polarizable surfaces
• Electric Fields Near Undulating Dielectric Membranes
• Brownian dynamics simulations of electric double-layer capacitors with tunable metallicity