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Title: Tafel slopes from first principles
Authors: Fletcher, Stephen
Keywords: Schrödinger equation
Golden rule
Butler-Volmer equation
Tafel slopes
Electron transfer
Issue Date: 2009
Publisher: © Springer Berlin / Heidelberg
Citation: FLETCHER, S., 2009. Tafel slopes from first principles. Journal of Solid State Electrochemistry, 13 (4), pp. 537–549
Abstract: Tafel slopes for multistep electrochemical reactions are derived from first principles. The derivation takes place in two stages. First, Dirac’s perturbation theory is used to solve the Schrödinger equation. Second, current-voltage curves are obtained by integrating the single-state results over the full density of states in electrolyte solutions. Thermal equilibrium is assumed throughout. Somewhat surprisingly, it is found that the symmetry factor that appears in the Butler-Volmer equation is different from the symmetry factor that appears in electron transfer theory, and a conversion formula is given. Finally, the Tafel slopes are compiled in a convenient look-up table.
Description: This is a journal article. It was published in the journal, Journal of Solid State Electrochemistry [© Springer] and the original publication is available at: http://www.springerlink.com/content/101568/
DOI: 10.1007/s10008-008-0670-8
URI: https://dspace.lboro.ac.uk/2134/3716
ISSN: 1432-8488
Appears in Collections:Published Articles (Chemistry)

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