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Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis

The Tafel slope is a key parameter often quoted to characterize the efficacy of an electrochemical catalyst. In this paper, we develop a Bayesian data analysis approach to estimate the Tafel slope from experimentally-measured current-voltage data. Our approach obviates the human intervention require...

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Autores principales: Limaye, Aditya M., Zeng, Joy S., Willard, Adam P., Manthiram, Karthish
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7846806/
https://www.ncbi.nlm.nih.gov/pubmed/33514735
http://dx.doi.org/10.1038/s41467-021-20924-y
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author Limaye, Aditya M.
Zeng, Joy S.
Willard, Adam P.
Manthiram, Karthish
author_facet Limaye, Aditya M.
Zeng, Joy S.
Willard, Adam P.
Manthiram, Karthish
author_sort Limaye, Aditya M.
collection PubMed
description The Tafel slope is a key parameter often quoted to characterize the efficacy of an electrochemical catalyst. In this paper, we develop a Bayesian data analysis approach to estimate the Tafel slope from experimentally-measured current-voltage data. Our approach obviates the human intervention required by current literature practice for Tafel estimation, and provides robust, distributional uncertainty estimates. Using synthetic data, we illustrate how data insufficiency can unknowingly influence current fitting approaches, and how our approach allays these concerns. We apply our approach to conduct a comprehensive re-analysis of data from the CO(2) reduction literature. This analysis reveals no systematic preference for Tafel slopes to cluster around certain "cardinal values” (e.g. 60 or 120 mV/decade). We hypothesize several plausible physical explanations for this observation, and discuss the implications of our finding for mechanistic analysis in electrochemical kinetic investigations.
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spelling pubmed-78468062021-02-08 Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis Limaye, Aditya M. Zeng, Joy S. Willard, Adam P. Manthiram, Karthish Nat Commun Article The Tafel slope is a key parameter often quoted to characterize the efficacy of an electrochemical catalyst. In this paper, we develop a Bayesian data analysis approach to estimate the Tafel slope from experimentally-measured current-voltage data. Our approach obviates the human intervention required by current literature practice for Tafel estimation, and provides robust, distributional uncertainty estimates. Using synthetic data, we illustrate how data insufficiency can unknowingly influence current fitting approaches, and how our approach allays these concerns. We apply our approach to conduct a comprehensive re-analysis of data from the CO(2) reduction literature. This analysis reveals no systematic preference for Tafel slopes to cluster around certain "cardinal values” (e.g. 60 or 120 mV/decade). We hypothesize several plausible physical explanations for this observation, and discuss the implications of our finding for mechanistic analysis in electrochemical kinetic investigations. Nature Publishing Group UK 2021-01-29 /pmc/articles/PMC7846806/ /pubmed/33514735 http://dx.doi.org/10.1038/s41467-021-20924-y Text en © The Author(s) 2021 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Limaye, Aditya M.
Zeng, Joy S.
Willard, Adam P.
Manthiram, Karthish
Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis
title Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis
title_full Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis
title_fullStr Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis
title_full_unstemmed Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis
title_short Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO(2) reduction electrocatalysis
title_sort bayesian data analysis reveals no preference for cardinal tafel slopes in co(2) reduction electrocatalysis
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7846806/
https://www.ncbi.nlm.nih.gov/pubmed/33514735
http://dx.doi.org/10.1038/s41467-021-20924-y
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