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 …
Theory and simulations of ionic liquids in nanoconfinement
Room-temperature ionic liquids (RTILs) have exciting properties such as nonvolatility, large
electrochemical windows, and remarkable variety, drawing much interest in energy storage …
electrochemical windows, and remarkable variety, drawing much interest in energy storage …
Efficient storage mechanisms for building better supercapacitors
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 …
mechanism of adsorption of ions from an electrolyte on a high-surface-area electrode. Over …
Water at interfaces
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 …
technological processes and in the environment. Examples of aqueous interfaces are …
Improving the accuracy of atomistic simulations of the electrochemical interface
Atomistic simulation of the electrochemical double layer is an ambitious undertaking,
requiring quantum mechanical description of electrons, phase space sampling of liquid …
requiring quantum mechanical description of electrons, phase space sampling of liquid …
Multiscale modeling of aqueous electric double layers
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 …
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …
Molecular simulation of electrode-solution interfaces
Many key industrial processes, from electricity production, conversion, and storage to
electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the …
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 …
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 …
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
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 choice of an appropriate model for the electrode. Typically, in such simulations the …