Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries
Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …
considered a promising technology to construct sustainable energy systems in the future …
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 …
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 …
electrochemistry of diluted electrolytes 1− 4 where dissolved salt ions were surrounded by a …
Reviewing the fundamentals of supercapacitors and the difficulties involving the analysis of the electrochemical findings obtained for porous electrode materials
LM Da Silva, R Cesar, CMR Moreira, JHM Santos… - Energy storage …, 2020 - Elsevier
After a brief presentation of the major aspects involving supercapacitors, their fundamental
aspects were reviewed with special emphasis on recent advances accounting for the electric …
aspects were reviewed with special emphasis on recent advances accounting for the electric …
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 …
offer a number of advantages, such as high power density and long cyclability. In recent …
Computational insights into materials and interfaces for capacitive energy storage
Supercapacitors such as electric double‐layer capacitors (EDLCs) and pseudocapacitors
are becoming increasingly important in the field of electrical energy storage. Theoretical …
are becoming increasingly important in the field of electrical energy storage. Theoretical …
[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 …
Mean-field theory of electrical double layer in ionic liquids with account of short-range correlations
We develop the theory of the electrical double layer in ionic liquids as proposed earlier by
Kornyshev (2007). In the free energy function we keep the so called 'short-range correlation …
Kornyshev (2007). In the free energy function we keep the so called 'short-range correlation …
MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes
Electrochemistry is central to many applications, ranging from biology to energy science.
Studies now involve a wide range of techniques, both experimental and theoretical …
Studies now involve a wide range of techniques, both experimental and theoretical …
Water in ionic liquids at electrified interfaces: the anatomy of electrosorption
Complete removal of water from room-temperature ionic liquids is nearly impossible. For the
electrochemical applications of ionic liquids, how water is distributed in the electrical double …
electrochemical applications of ionic liquids, how water is distributed in the electrical double …