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 …
Structure and nanostructure in ionic liquids
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 …
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …
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 …
Nanoporous carbon for electrochemical capacitive energy storage
The urgent need for efficient energy storage devices has stimulated a great deal of research
on electrochemical double layer capacitors (EDLCs). This review aims at summarizing the …
on electrochemical double layer capacitors (EDLCs). This review aims at summarizing the …
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 …
Molecular dynamics simulations of ionic liquids and electrolytes using polarizable force fields
Many applications in chemistry, biology, and energy storage/conversion research rely on
molecular simulations to provide fundamental insight into structural and transport properties …
molecular simulations to provide fundamental insight into structural and transport properties …
A comprehensive review on batteries and supercapacitors: Development and challenges since their inception
The chemistry underlying the storage phenomena in batteries and supercapacitors has
been known to mankind for quite some time now. Nonetheless, a holistic apprehension of …
been known to mankind for quite some time now. Nonetheless, a holistic apprehension of …
Multiscale studies on ionic liquids
Ionic liquids (ILs) offer a wide range of promising applications because of their much
enhanced properties. However, further development of such materials depends on the …
enhanced properties. However, further development of such materials depends on the …
New perspectives on the charging mechanisms of supercapacitors
Supercapacitors (or electric double-layer capacitors) are high-power energy storage devices
that store charge at the interface between porous carbon electrodes and an electrolyte …
that store charge at the interface between porous carbon electrodes and an electrolyte …
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 …