A grid-free approach for simulating sweep and cyclic voltammetry.
Publication
, Journal Article
Coffman, AJ; Lu, J; Subotnik, JE
Published in: The Journal of chemical physics
April 2021
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.
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Published In
The Journal of chemical physics
DOI
EISSN
1089-7690
ISSN
0021-9606
Publication Date
April 2021
Volume
154
Issue
16
Start / End Page
161101
Related Subject Headings
- Chemical Physics
- 51 Physical sciences
- 40 Engineering
- 34 Chemical sciences
- 09 Engineering
- 03 Chemical Sciences
- 02 Physical Sciences
Citation
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Coffman, A. J., Lu, J., & Subotnik, J. E. (2021). A grid-free approach for simulating sweep and cyclic voltammetry. The Journal of Chemical Physics, 154(16), 161101. https://doi.org/10.1063/5.0044156
Coffman, Alec J., Jianfeng Lu, and Joseph E. Subotnik. “A grid-free approach for simulating sweep and cyclic voltammetry.” The Journal of Chemical Physics 154, no. 16 (April 2021): 161101. https://doi.org/10.1063/5.0044156.
Coffman AJ, Lu J, Subotnik JE. A grid-free approach for simulating sweep and cyclic voltammetry. The Journal of chemical physics. 2021 Apr;154(16):161101.
Coffman, Alec J., et al. “A grid-free approach for simulating sweep and cyclic voltammetry.” The Journal of Chemical Physics, vol. 154, no. 16, Apr. 2021, p. 161101. Epmc, doi:10.1063/5.0044156.
Coffman AJ, Lu J, Subotnik JE. A grid-free approach for simulating sweep and cyclic voltammetry. The Journal of chemical physics. 2021 Apr;154(16):161101.
Published In
The Journal of chemical physics
DOI
EISSN
1089-7690
ISSN
0021-9606
Publication Date
April 2021
Volume
154
Issue
16
Start / End Page
161101
Related Subject Headings
- Chemical Physics
- 51 Physical sciences
- 40 Engineering
- 34 Chemical sciences
- 09 Engineering
- 03 Chemical Sciences
- 02 Physical Sciences