Year: 2021
Type: article
Abstract: We present a 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 than (and quantitatively identical to) established techniques. The present algorithm should help open the door for studying adsorption effects in inner sphere electrochemistry.
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0044156
Authors: Alec J. Coffman, Jianfeng Lu, Joseph E. Subotnik
Institutions: University of Pennsylvania, Duke University
Language: English
Subfield: Electrochemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W3127550093