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arXiv · 1712.04686

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

Matheus Girotto·Alexandre P. dos Santos·Yan Levin
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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.

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Matheus Girotto, Alexandre P. dos Santos, Yan Levin. 2017-12-13. Simulations of ionic liquids confined by metal electrodes using periodic Green functions. https://doi.org/10.1063/1.4989388

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