A grid-free approach for simulating sweep and cyclic voltammetry
نویسندگان
چکیده
We present a new computational approach to simulate linear sweep and cyclic voltammetry experiments that does not require discretized grid in space quantify diffusion. By using Green's function solution coupled standard implicit ordinary differential equation solver, we are able current redox species concentrations only small time. As result, where benchmarking is possible, find the method faster (and quantitatively identical) established techniques. The algorithm should help open door studying adsorption effects inner sphere electrochemistry.
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ژورنال
عنوان ژورنال: Journal of Chemical Physics
سال: 2021
ISSN: ['1520-9032', '1089-7690', '0021-9606']
DOI: https://doi.org/10.1063/5.0044156