Modulation of ionic conduction using polarizable surfaces

AP Dos Santos, F Jiménez-Ángeles, A Ehlen… - Physical Review …, 2023 - APS
Hybrid ionic-electronic conductors have the potential to generate memory effects and
neuronal behavior. The functionality of these mixed materials depends on ion motion …

Electrolytes in conducting nanopores: Revisiting constant charge and constant potential simulations

A Reinauer, S Kondrat, C Holm - The Journal of Chemical Physics, 2024 - pubs.aip.org
Simulating electrolyte–electrode systems poses challenges due to the need to account for
the electrode's response to ion movements in order to maintain a constant electrode …

Surface polarization effects on collapse transition of polyelectrolyte brushes

XF Xu - Chinese Journal of Polymer Science, 2024 - Springer
Polyelectrolyte brushes (PEBs) are commonly used to modify surface that have attracted
great research interest. The dielectric permittivity of the grafted surface is typically …

Efficient method for simulating ionic fluids between polarizable metal electrodes

IM Telles, AP Dos Santos, Y Levin - The Journal of Chemical Physics, 2024 - pubs.aip.org
We introduce an efficient method for simulating Coulomb systems confined by conducting
planar surfaces. The new approach is suitable for both coarse-grained models and all-atom …

Electric fields near undulating dielectric membranes

N Pogharian, AP Dos Santos, A Ehlen… - The Journal of …, 2024 - pubs.aip.org
Dielectric interfaces are crucial to the behavior of charged membranes, from graphene to
synthetic and biological lipid bilayers. Understanding electrolyte behavior near these …

Enhanced Electrocatalytic Performances by Spatially Confined Aqueous Electrolytes

J Zhang, D Cai, Z Li - ChemistrySelect, 2024 - Wiley Online Library
Electrocatalysis is an important energy conversion and storage technology that has made
significant progress in areas such as fuel cells, hydrogen production from electrolyzed water …

Self-generated electrokinetic flows from active-charged boundary patterns

A Shrestha, E Kirkinis, MO de la Cruz - arxiv preprint arxiv:2412.15397, 2024 - arxiv.org
We develop a hydrodynamic description of self-generated electrolyte flow in capillaries
whose bounding walls feature both non-uniform distributions of charge and non-uniform …

Assembly and Transport in Complex and Confined Environments

A Ehlen - 2024 - search.proquest.com
In this work, we look closely the feedback between a nanoscale object and its environment
and how it determines how the object behaves. In Part 2, I will focus on ions in confined …