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 …
Molecular dynamics simulations of electrochemical interfaces
Molecular dynamics (MD) simulations have become a powerful tool for investigating
electrical double layers (EDLs), which play a crucial role in various electrochemical devices …
electrical double layers (EDLs), which play a crucial role in various electrochemical devices …
Ionic liquid–metal interface: The origins of capacitance peaks
IV Voroshylova, H Ers, V Koverga… - Electrochimica …, 2021 - Elsevier
The complex nature of electrode charge screening is well-known for ionic liquids (ILs). Due
to strong ion–ion correlations, these electrolytes form a distinctive layered structure at …
to strong ion–ion correlations, these electrolytes form a distinctive layered structure at …
[HTML][HTML] Double layer in ionic liquids: Temperature effect and bilayer model
This work describes the effect of potential and temperature on the graphene–ionic liquid
(EMImBF 4) interfacial structure and properties with the focus on a novel phenomenon of …
(EMImBF 4) interfacial structure and properties with the focus on a novel phenomenon of …
Carbon dioxide chemisorption by ammonium and phosphonium ionic liquids: quantum chemistry calculations
VV Chaban - The Journal of Physical Chemistry B, 2022 - ACS Publications
Carbon capture and storage is an important technological endeavor aiming to improve the
ecology by combating global warming. The present work investigates reaction paths that are …
ecology by combating global warming. The present work investigates reaction paths that are …
Order beyond a monolayer: the story of two self-assembled 4, 4′-bipyridine layers on the Sb (111)| ionic liquid interface
In this study, it has been shown that the ordering of organic molecules is not limited to a
highly organised self-assembled monolayer on the electrode's surface. At the interface …
highly organised self-assembled monolayer on the electrode's surface. At the interface …
Role of imidazolium cations on the interfacial structure of room‐temperature ionic liquids in contact with Pt (111) electrodes
B Ratschmeier, B Braunschweig - Electrochemical Science …, 2023 - Wiley Online Library
Room‐temperature ionic liquids (ILs) have gained considerable attention as an important
addition to conventional electrolytes because they exhibit large electrochemical windows …
addition to conventional electrolytes because they exhibit large electrochemical windows …
Revealing the Two-Stage Charging Process in Sulfuric Acid Electrolyte by Molecular Dynamics Simulation
Two-dimensional MXene materials perform excellently in supercapacitor applications, but
self-stacking and overlap limit their applications. Constructing a reasonable layered …
self-stacking and overlap limit their applications. Constructing a reasonable layered …
Effect of Gold Substrate on the Interface between Graphene Monolayer and an Ionic Liquid
N Gaudy, M Salanne, C Merlet - ACS Nanoscience Au, 2024 - ACS Publications
The unique properties of graphene make it an ideal material for electrochemical studies,
particularly of the electrochemical double-layer. However, experimental studies generally …
particularly of the electrochemical double-layer. However, experimental studies generally …
Nanostructure and Dynamics of Aprotic Ionic Liquids at Graphite Electrodes as a Function of Potential
Atomic force microscope (AFM) videos reveal the near‐surface nanostructure and dynamics
of the ionic liquids (ILs) 1‐butyl‐3‐methylimidazolium dicyanamide (BMIM DCA) and 1 …
of the ionic liquids (ILs) 1‐butyl‐3‐methylimidazolium dicyanamide (BMIM DCA) and 1 …