Microscopic simulations of electrochemical double-layer capacitors
Electrochemical double-layer capacitors (EDLCs) are devices allowing the storage or
production of electricity. They function through the adsorption of ions from an electrolyte on …
production of electricity. They function through the adsorption of ions from an electrolyte on …
Atomistic modelling approaches to understanding the interfaces of ionic liquid electrolytes for batteries and electrochemical devices
F Chen - Current Opinion in Electrochemistry, 2022 - Elsevier
Interface stability is a core issue in battery research. However, interfacial problems are the
most complex dilemma to solve, and molecular modelling becomes increasingly …
most complex dilemma to solve, and molecular modelling becomes increasingly …
[HTML][HTML] Absence of anomalous underscreening in highly concentrated aqueous electrolytes confined between smooth silica surfaces
Recent surface forces apparatus experiments that measured the forces between two mica
surfaces and a series of subsequent theoretical studies suggest the occurrence of universal …
surfaces and a series of subsequent theoretical studies suggest the occurrence of universal …
Electrical noise in electrolytes: a theoretical perspective
Seemingly unrelated experiments such as electrolyte transport through nanotubes, nano-
scale electrochemistry, NMR relaxometry and surface force balance measurements, all …
scale electrochemistry, NMR relaxometry and surface force balance measurements, all …
Enhanced oil recovery by sacrificing polyelectrolyte to reduce surfactant adsorption: A classical density functional theory study
J Cheng, J Xu, J Yang, W Lv, C Lian, H Liu - Chemical Engineering Science, 2022 - Elsevier
During the process of chemical enhanced oil recovery (CEOR), surfactants are widely used
as they can reduce interfacial tension and change surface wettability, but the huge economic …
as they can reduce interfacial tension and change surface wettability, but the huge economic …
Frequency and field-dependent response of confined electrolytes from Brownian dynamics simulations
G Stoltz, B Rotenberg - The Journal of Chemical Physics, 2023 - pubs.aip.org
Using Brownian dynamics simulations, we investigate the effects of confinement, adsorption
on surfaces, and ion–ion interactions on the response of confined electrolyte solutions to …
on surfaces, and ion–ion interactions on the response of confined electrolyte solutions to …
Frequency-dependent impedance of nanocapacitors from electrode charge fluctuations as a probe of electrolyte dynamics
G Pireddu, B Rotenberg - Physical Review Letters, 2023 - APS
The frequency-dependent impedance is a fundamental property of electrical components.
We show that it can be determined from the equilibrium dynamical fluctuations of the …
We show that it can be determined from the equilibrium dynamical fluctuations of the …
[HTML][HTML] A simple efficient algorithm for molecular simulations of constant potential electrodes
RS Sitlapersad, AR Thornton… - The Journal of chemical …, 2024 - pubs.aip.org
Increasingly, society requires high power, high energy storage devices for applications
ranging from electric vehicles to buffers on the electric grid. Supercapacitors are a promising …
ranging from electric vehicles to buffers on the electric grid. Supercapacitors are a promising …
The differential capacitance as a probe for the electric double layer structure and the electrolyte bulk composition
P Cats, R van Roij - The Journal of Chemical Physics, 2021 - pubs.aip.org
In this work, we theoretically study the differential capacitance of an aqueous electrolyte in
contact with a planar electrode, using classical density functional theory, and show how this …
contact with a planar electrode, using classical density functional theory, and show how this …
The electrostatic effect and its role in promoting electrocatalytic reactions by specifically adsorbed anions
The adsorption of anions and its impact on electrocatalytic reactions are fundamental topics
in electrocatalysis. Previous studies revealed that adsorbed anions display an overall …
in electrocatalysis. Previous studies revealed that adsorbed anions display an overall …