Data for the paper "A kinetic model to simulate charge flow through an electro-chemical half-cell"

This repository contains the data and scripts necessary to reproduce the results presented in the manuscript "A kinetic model to simulate charge flow through an electro-chemical half-cell" https://doi.org/10.1063/5.0295632. There, we present a Monte Carlo model of electron transfer at an idealised electrode–electrolyte interface that couples surface electron hopping with ionic diffusion to simulate steady-state currents and quantify their dependence on electrode charge, electrolyte properties, and electron-transfer kinetics.

Data and Resources

Additional Info

Field Value
Publication(s)
Publication 1
Title of related publication
A kinetic model to simulate charge flow through an electro-chemical half-cell
Year of related publication
2025
DOI of related publication (not DOI of data resources)
https://doi.org/10.1063/5.0295632
Funding DFG Project No. 233630050-TRR146
Subproject Project B4: Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations
Cooperation partner(s)
  • Johannes Gutenberg University Mainz
  • Max Planck Institute for Polymer Research
Responsible Person's Name (PI) Dr. Robin Cortes-Huerto
Responsible Person's Email for further data requests corteshu@mpip-mainz.mpg.de
Responsible Person's Affiliation Max Planck Institute for Polymer Research, Mainz, Germany