cv_matlab_comsol

https://github.com/ziwzh166/cv_matlab_comsol

Science Score: 44.0%

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CITATION.cff file
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Low similarity (10.5%) to scientific vocabulary

Last synced: 10 months ago · JSON representation ·

Repository

Basic Info

Host: GitHub
Owner: ziwzh166
Language: Jupyter Notebook
Default Branch: main
Size: 412 KB

Statistics

Stars: 0
Watchers: 1
Forks: 0
Open Issues: 0
Releases: 0

Created over 1 year ago · Last pushed about 1 year ago

Metadata Files

Readme Citation

CVMatlabComsol

Overview

This repository contains a collection of tools for electrochemical simulations, focusing on Cyclic Voltammetry (CV) and Electrochemical Impedance Spectroscopy (EIS). The toolkit includes MATLAB scripts for one-electron step CV simulations and a Jupyter notebook for EIS data fitting with custom circuit elements.

Authors

Andrew J. Bagnall @AJBagnall
Ziwen Zhao @ziwzh166
Nikolaos Kostopoulos @ngkostop
Alina Sekretareva*@alina-sekretareva

Cyclic Voltammetry (CV) Simulations

CVSimulationBV.m: CV simulation using Butler-Volmer kinetics
CVSimulationMH.m: CV simulation using Marcus-Hush theory
CV_SimulationAJBloop.m: Parametric CV simulation with looping functionality
CVcomsolModel1D.mph: COMSOL Multiphysics model for 1D CV simulation based on Butler-Volmer kinetics

Electrochemical Impedance Spectroscopy (EIS)

EISfittingCustomElements_AJB -NewAuto04-24c.ipynb: Jupyter notebook for fitting EIS data with custom circuit elements

Documentation

CITATION.cff: Citation file format for referencing this work

Getting Started

Prerequisites

MATLAB (for CV simulations)
COMSOL Multiphysics (for the .mph model)
Jupyter Notebook with Python (for EIS fitting)
Required Python packages (listed in the Jupyter notebook)

Running CV Simulations

Open MATLAB and navigate to the repository directory
Run one of the CV simulation scripts:

matlab CV_Simulation_BV

matlab CV_Simulation_MH

Using the EIS Fitting Tool

Prior to use please install the following modules:

pip install impedance pandas matplotlib 2. Open the Jupyter notebook:

jupyter notebook "EISfittingCustomElements_AJB -NewAuto04-24c.ipynb" 3. Follow the instructions within the notebook to fit your EIS data

If you use this software in your research, please cite it using the information provided in the CITATION.cff file.

Owner

Login: ziwzh166
Kind: user

Repositories: 1
Profile: https://github.com/ziwzh166

Citation (CITATION.cff)

cff-version: 1.0.1
message: "If you use this software, please cite it as below."
authors:
- family-names: "Zhao"
  given-names: "Ziwen"
  orcid: "add orcid"
- family-names: "Kostopoulos"
  given-names: "Nikos"
  orcid: "add orcid"
- family-names: "Bagnall"
  given-names: "Andrew"
  orcid: "add orcid"
title: "CV_Matlab_Comsol"
version: 1.0.1
date-released: 2025-02-14
url: "https://github.com/ziwzh166/CV_Matlab_Comsol/"

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