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 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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Aug 17, 2017
- Source ID
- 10.1063/1.4989388
Entities
People
- Alexandre P dos Santos
- Matheus Girotto
- Yan Levin
Organizations
- Air Force Office of Scientific Research
- Federal University of Rio Grande do Sul
- National Council for Scientific and Technological Development