Microscopic simulations of electrochemical double-layer capacitors

G Jeanmairet, B Rotenberg, M Salanne - Chemical reviews, 2022 - ACS Publications
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 …

Theory and simulations of ionic liquids in nanoconfinement

S Kondrat, G Feng, F Bresme, M Urbakh… - Chemical …, 2023 - ACS Publications
Room-temperature ionic liquids (RTILs) have exciting properties such as nonvolatility, large
electrochemical windows, and remarkable variety, drawing much interest in energy storage …

Efficient storage mechanisms for building better supercapacitors

M Salanne, B Rotenberg, K Naoi, K Kaneko… - Nature Energy, 2016 - nature.com
Supercapacitors are electrochemical energy storage devices that operate on the simple
mechanism of adsorption of ions from an electrolyte on a high-surface-area electrode. Over …

Water at interfaces

O Björneholm, MH Hansen, A Hodgson… - Chemical …, 2016 - ACS Publications
The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …

Improving the accuracy of atomistic simulations of the electrochemical interface

R Sundararaman, D Vigil-Fowler, K Schwarz - Chemical reviews, 2022 - ACS Publications
Atomistic simulation of the electrochemical double layer is an ambitious undertaking,
requiring quantum mechanical description of electrons, phase space sampling of liquid …

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 …

Molecular simulation of electrode-solution interfaces

L Scalfi, M Salanne, B Rotenberg - Annual Review of Physical …, 2021 - annualreviews.org
Many key industrial processes, from electricity production, conversion, and storage to
electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the …

[HTML][HTML] Ionic liquids as electrolytes for energy storage applications–A modelling perspective

E Jónsson - Energy Storage Materials, 2020 - Elsevier
Ionic liquids as electrolytes for energy storage devices is a promising field. Here, the various
approaches of how ionic liquids can be modelled are discussed along with how the …

Ionic liquids for supercapacitor applications

M Salanne - Ionic Liquids II, 2018 - Springer
Supercapacitors are electrochemical energy storage devices in which the charge is
accumulated through the adsorption of ions from an electrolyte on the surface of the …

[HTML][HTML] Evaluation of the constant potential method in simulating electric double-layer capacitors

Z Wang, Y Yang, DL Olmsted, M Asta… - The Journal of chemical …, 2014 - pubs.aip.org
A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is
the choice of an appropriate model for the electrode. Typically, in such simulations the …