Ionic liquids at electrified interfaces

MV Fedorov, AA Kornyshev - Chemical reviews, 2014 - ACS Publications
Until recently,“room-temperature”(< 100− 150 C) liquidstate electrochemistry was mostly
electrochemistry of diluted electrolytes 1− 4 where dissolved salt ions were surrounded by a …

Multiscale modeling of aqueous electric double layers

M Becker, P Loche, M Rezaei, A Wolde-Kidan… - Chemical …, 2023 - ACS Publications
From the stability of colloidal suspensions to the charging of electrodes, electric double
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …

Ultra-fast charging in aluminum-ion batteries: electric double layers on active anode

X Shen, T Sun, L Yang, A Krasnoslobodtsev… - Nature …, 2021 - nature.com
With the rapid iteration of portable electronics and electric vehicles, develo** high-
capacity batteries with ultra-fast charging capability has become a holy grail. Here we report …

Towards understanding the structure and capacitance of electrical double layer in ionic liquids

MV Fedorov, AA Kornyshev - Electrochimica Acta, 2008 - Elsevier
In order to understand basic principles of the double layer formation in room temperature
ionic liquids, we have performed Molecular Dynamic simulations for a simplified system …

Ionic liquid near a charged wall: Structure and capacitance of electrical double layer

MV Fedorov, AA Kornyshev - The Journal of Physical Chemistry B, 2008 - ACS Publications
We study the effects of ion size asymmetry and short-range correlations on the electrical
double layer in ionic liquids: we perform molecular dynamics simulations of a model ionic …

Solvation thermodynamics of organic molecules by the molecular integral equation theory: approaching chemical accuracy

EL Ratkova, DS Palmer, MV Fedorov - Chemical reviews, 2015 - ACS Publications
The integral equation theory (IET) of molecular liquids has been an active area of academic
research in theoretical and computational physical chemistry for over 40 years because it …

Structure and interactions of biological helices

AA Kornyshev, DJ Lee, S Leikin, A Wynveen - Reviews of Modern Physics, 2007 - APS
Helices are essential building blocks of living organisms, be they molecular fragments of
proteins (α-helices), macromolecules (DNA and collagen), or multimolecular assemblies …

Profile of the static permittivity tensor of water at interfaces: Consequences for capacitance, hydration interaction and ion adsorption

DJ Bonthuis, S Gekle, RR Netz - Langmuir, 2012 - ACS Publications
We derive the theoretical framework to calculate the dielectric response tensor and
determine its components for water adjacent to hydrophilic and hydrophobic surfaces using …

A CAS wavelet method for solving nonlinear Fredholm integro-differential equations of fractional order

H Saeedi, MM Moghadam, N Mollahasani… - … in nonlinear science and …, 2011 - Elsevier
In this paper we present a computational method for solving a class of nonlinear Fredholm
integro-differential equations of fractional order which is based on CAS (Cosine And Sine) …

The dramatic effect of water structure on hydration forces and the electrical double layer

JG Hedley, H Berthoumieux… - The Journal of Physical …, 2023 - ACS Publications
Forces between hydrophilic surfaces mediated by water are important in various systems
from lipid membranes and solid surfaces to colloids and macromolecules, first discovered as …