A grid-free approach for simulating sweep and cyclic voltammetry

Alec J. Coffman, Jianfeng Lu, Joseph E. Subotnik

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

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.

Original languageEnglish (US)
Article number161101
JournalJournal of Chemical Physics
Volume154
Issue number16
DOIs
StatePublished - Apr 28 2021
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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