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 …

[HTML][HTML] Structure and nanostructure in ionic liquids

R Hayes, GG Warr, R Atkin - Chemical reviews, 2015 - ACS Publications
Much of chemistry is concerned with the study of reactions and processes in solution, that is,
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …

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 …

Computational insights into materials and interfaces for capacitive energy storage

C Zhan, C Lian, Y Zhang, MW Thompson… - Advanced …, 2017 - Wiley Online Library
Supercapacitors such as electric double‐layer capacitors (EDLCs) and pseudocapacitors
are becoming increasingly important in the field of electrical energy storage. Theoretical …

[HTML][HTML] Highly confined ions store charge more efficiently in supercapacitors

C Merlet, C Péan, B Rotenberg, PA Madden… - Nature …, 2013 - nature.com
Liquids exhibit specific properties when they are adsorbed in nanoporous structures. This is
particularly true in the context of supercapacitors, for which an anomalous increase in …

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 …

A review of molecular modelling of electric double layer capacitors

R Burt, G Birkett, XS Zhao - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
Electric double-layer capacitors are a family of electrochemical energy storage devices that
offer a number of advantages, such as high power density and long cyclability. In recent …

[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 …

The electric double layer has a life of its own

C Merlet, DT Limmer, M Salanne… - The Journal of …, 2014 - ACS Publications
Using molecular dynamics simulations with recently developed importance sampling
methods, we show that the differential capacitance of a model ionic liquid based double …

Confinement, desolvation, and electrosorption effects on the diffusion of ions in nanoporous carbon electrodes

C Pean, B Daffos, B Rotenberg, P Levitz… - Journal of the …, 2015 - ACS Publications
Supercapacitors are electrochemical devices which store energy by ion adsorption on the
surface of a porous carbon. They are characterized by high power delivery. The use of …