A Grid-free Approach for Simulating Sweep and Cyclic Voltammetry

TL;DR

This paper introduces a grid-free computational method for simulating electrochemical voltammetry experiments, leveraging Green's functions and ODE solvers to improve efficiency and accuracy over traditional grid-based techniques.

Contribution

A novel grid-free simulation approach for voltammetry that reduces computational complexity and enhances speed while maintaining accuracy.

Findings

Faster simulation compared to traditional methods.

Quantitatively identical results to established techniques.

Potential to study adsorption effects in inner sphere electrochemistry.

Abstract

We present a new computational approach to simulate linear sweep and cyclic voltammetry experiments that does not require a discretized grid in space to quantify diffusion. By using a Green's function solution coupled to a standard implicit ordinary differential equation solver, we are able to simulate current and redox species concentrations using only a small grid in time. As a result, where benchmarking is possible, we find that the current method is faster (and quantitatively identical) to established techniques. The present algorithm should help open the door to studying adsorption effects in inner sphere electrochemistry.