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 …

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 …

Molecular insights into temperature oscillation of electric double-layer capacitors in charging–discharging cycles

T Zhao, S Zhou, Z Xu, S Zhao - Journal of Power Sources, 2023 - Elsevier
Electric double-layer capacitors (EDLCs) are promising electric energy storage devices for
increasing global energy demand. During charging–discharging cycles, the generated heat …

Dynamic density functional theory for the charging of electric double layer capacitors

K Ma, M Janssen, C Lian, R Van Roij - The Journal of Chemical …, 2022 - pubs.aip.org
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 …

How the Thermal Effect Regulates Cyclic Voltammetry of Supercapacitors

T Zhao, S Zhao, S Zhou, Z Xu - ACS Energy Letters, 2023 - ACS Publications
Cyclic voltammetry (CV) is a powerful technique for characterizing the electrochemical
properties of electrochemical devices. During charging–discharging cycles, the thermal …

Structure-preserving numerical method for Maxwell-Ampère Nernst-Planck model

Z Qiao, Z Xu, Q Yin, S Zhou - Journal of Computational Physics, 2023 - Elsevier
Charge dynamics play essential role in many practical applications such as semiconductors,
electrochemical devices and transmembrane ion channels. A Maxwell-Ampère Nernst …

[HTML][HTML] A fast spectral method for electrostatics in doubly periodic slit channels

O Maxian, RP Peláez, L Greengard… - The Journal of Chemical …, 2021 - pubs.aip.org
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 …

Local structure-preserving relaxation method for equilibrium of charged systems on unstructured meshes

Z Qiao, Z Xu, Q Yin, S Zhou - SIAM Journal on Scientific Computing, 2024 - SIAM
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 …

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 …

A Maxwell–Ampère Nernst–Planck Framework for Modeling Charge Dynamics

Z Qiao, Z Xu, Q Yin, S Zhou - SIAM Journal on Applied Mathematics, 2023 - SIAM
Understanding the properties of charge dynamics is crucial to many practical applications,
such as electrochemical energy devices and transmembrane ion channels. This work …