Effect of solvent structure on the Wien effect and ionic correlations at the nanoscale
Abstract
), which we then incorporate into stochastic density functional theory (SDFT), focusing on ion transport in water. Using nonlocal SDFT and classical molecular dynamics simulations, we study the ionic hydration shell and its deformation under an electrostatic field. This allows us to identify the minimal ingredients required for an implicit solvent description to reproduce simulation results. As a perspective, we apply this framework to the transport of ions in a two-dimensional slab.
Fields of Study & Subjects
Electrostatics and Colloid Interactions
Spectroscopy and Quantum Chemical Studies
Advanced Battery Materials and Technologies
Publication details
- Journal / source
- Faraday Discussions
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 266
- Issue
- 0
- Pages
- 361–376
- Publication date
- 1 January 2026
- Language
- EN