Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions
arXiv:1712.03712 · doi:10.1063/1.4997420
Abstract
We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from surface polarization can be decoupled from the energy of periodic replicas. This allows us to combine an efficient Ewald summation method for the replicas with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between charged dielectric and metal interfaces.
References in corpus (8)
- The electric double layer has a life of its own
- Electroneutrality Breakdown and Specific Ion Effects in Nanoconfined Aqueous Electrolytes Observed by NMR
- Simulations of Coulomb systems with slab geometry using an efficient 3d Ewald summation method
- Charge neutrality breakdown in confined aqueous electrolytes: theory and simulation
- Simulations of Polyelectrolyte Adsorption to a Dielectric Like-Charged Surface
- Simulations of ionic liquids confined by metal electrodes using periodic Green functions
- Lattice Model of an Ionic Liquid at an Electrified Interface
- Phase behaviour and structure of a superionic liquid in nonpolarized nanoconfinement
Cited by in corpus (8)
- Charge regulation of colloidal particles in aqueous solutions
- Interaction between charge-regulated metal nanoparticles in an electrolyte solution
- Fast Algorithm for Quasi-2D Coulomb Systems
- Modulation of ionic conduction using polarizable surfaces
- Image charge effects under metal and dieletric boundary conditions
- Electric Fields Near Undulating Dielectric Membranes
- Broken Symmetries in Quasi-2D Charged Systems via Negative Dielectric Confinement
- Brownian dynamics simulations of electric double-layer capacitors with tunable metallicity