Simulations of ionic liquids confined by metal electrodes using periodic Green functions
| Autor: | Alexandre P. dos Santos, Matheus Girotto, Yan Levin |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
Materials science
FOS: Physical sciences General Physics and Astronomy Ionic bonding Líquidos iônicos 02 engineering and technology Condensed Matter - Soft Condensed Matter 01 natural sciences chemistry.chemical_compound 0103 physical sciences Coulomb Surface charge Physical and Theoretical Chemistry Eletrostática 010304 chemical physics Coulomb blockade 021001 nanoscience & nanotechnology Electrostatics chemistry Chemical physics Ionic liquid Electrode Soft Condensed Matter (cond-mat.soft) Funcoes de green 0210 nano-technology Lattice model (physics) |
| Zdroj: | Repositório Institucional da UFRGS Universidade Federal do Rio Grande do Sul (UFRGS) instacron:UFRGS |
| Popis: | We present an efficient method for simulating Coulomb systems confined by metal electrodes. The approach relies on Green function 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 theoretical interest, for a lattice model of an ionic liquid. |
| Databáze: | OpenAIRE |
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