Simulations of ionic liquids confined by metal electrodes using periodic Green functions
Soft Condensed Matter
2017-12-14 v1
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.
Keywords
Cite
@article{arxiv.1712.04686,
title = {Simulations of ionic liquids confined by metal electrodes using periodic Green functions},
author = {Matheus Girotto and Alexandre P. dos Santos and Yan Levin},
journal= {arXiv preprint arXiv:1712.04686},
year = {2017}
}