Understanding the electric double-layer structure, capacitance, and charging dynamics
J Wu - Chemical Reviews, 2022 - ACS Publications
Significant progress has been made in recent years in theoretical modeling of the electric
double layer (EDL), a key concept in electrochemistry important for energy storage …
double layer (EDL), a key concept in electrochemistry important for energy storage …
A screening condition imposed stochastic approximation for long-range electrostatic correlations
W Gao, Z Hu, Z Xu - Journal of Chemical Theory and Computation, 2023 - ACS Publications
The recent random batch Ewald algorithm, originating from a stochastic approximation,
performs 1 order of magnitude faster than the mainstream algorithms such as the particle …
performs 1 order of magnitude faster than the mainstream algorithms such as the particle …
Molecular insights into temperature oscillation of electric double-layer capacitors in charging–discharging cycles
Electric double-layer capacitors (EDLCs) are promising electric energy storage devices for
increasing global energy demand. During charging–discharging cycles, the generated heat …
increasing global energy demand. During charging–discharging cycles, the generated heat …
Dynamic density functional theory for the charging of electric double layer capacitors
We consider the charging of a model capacitor comprised of two planar electrodes and an
electrolyte. Upon switching on a voltage difference, electric double layers build up in this …
electrolyte. Upon switching on a voltage difference, electric double layers build up in this …
How the Thermal Effect Regulates Cyclic Voltammetry of Supercapacitors
Cyclic voltammetry (CV) is a powerful technique for characterizing the electrochemical
properties of electrochemical devices. During charging–discharging cycles, the thermal …
properties of electrochemical devices. During charging–discharging cycles, the thermal …
Structure-preserving numerical method for Maxwell-Ampère Nernst-Planck model
Charge dynamics play essential role in many practical applications such as semiconductors,
electrochemical devices and transmembrane ion channels. A Maxwell-Ampère Nernst …
electrochemical devices and transmembrane ion channels. A Maxwell-Ampère Nernst …
[HTML][HTML] A fast spectral method for electrostatics in doubly periodic slit channels
We develop a fast method for computing the electrostatic energy and forces for a collection
of charges in doubly periodic slabs with jumps in the dielectric permittivity at the slab …
of charges in doubly periodic slabs with jumps in the dielectric permittivity at the slab …
Local structure-preserving relaxation method for equilibrium of charged systems on unstructured meshes
This work considers charged systems described by the modified Poisson–Nernst–Planck
(PNP) equations, which incorporate ionic steric effects and the Born solvation energy for …
(PNP) equations, which incorporate ionic steric effects and the Born solvation energy for …
Electric-field-induced oscillations in ionic fluids: a unified formulation of modified Poisson–Nernst–Planck models and its relevance to correlation function analysis
H Frusawa - Soft Matter, 2022 - pubs.rsc.org
We theoretically investigate an electric-field-driven system of charged spheres as a primitive
model of concentrated electrolytes under an applied electric field. First, we provide a unified …
model of concentrated electrolytes under an applied electric field. First, we provide a unified …
A Maxwell–Ampère Nernst–Planck Framework for Modeling Charge Dynamics
Understanding the properties of charge dynamics is crucial to many practical applications,
such as electrochemical energy devices and transmembrane ion channels. This work …
such as electrochemical energy devices and transmembrane ion channels. This work …