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Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO2 reduction electrocatalysis

Author

Listed:
  • Aditya M. Limaye

    (MIT)

  • Joy S. Zeng

    (MIT)

  • Adam P. Willard

    (MIT)

  • Karthish Manthiram

    (MIT)

Abstract

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 CO2 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.

Suggested Citation

  • Aditya M. Limaye & Joy S. Zeng & Adam P. Willard & Karthish Manthiram, 2021. "Bayesian data analysis reveals no preference for cardinal Tafel slopes in CO2 reduction electrocatalysis," Nature Communications, Nature, vol. 12(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-021-20924-y
    DOI: 10.1038/s41467-021-20924-y
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    Cited by:

    1. Carina Yi Jing Lim & Meltem Yilmaz & Juan Manuel Arce-Ramos & Albertus D. Handoko & Wei Jie Teh & Yuangang Zheng & Zi Hui Jonathan Khoo & Ming Lin & Mark Isaacs & Teck Lip Dexter Tam & Yang Bai & Chee, 2023. "Surface charge as activity descriptors for electrochemical CO2 reduction to multi-carbon products on organic-functionalised Cu," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    2. Sanat Vibhas Modak & Wanggang Shen & Siddhant Singh & Dylan Herrera & Fairooz Oudeif & Bryan R. Goldsmith & Xun Huan & David G. Kwabi, 2023. "Understanding capacity fade in organic redox-flow batteries by combining spectroscopy with statistical inference techniques," Nature Communications, Nature, vol. 14(1), pages 1-13, December.
    3. Jiawei Li & Hongliang Zeng & Xue Dong & Yimin Ding & Sunpei Hu & Runhao Zhang & Yizhou Dai & Peixin Cui & Zhou Xiao & Donghao Zhao & Liujiang Zhou & Tingting Zheng & Jianping Xiao & Jie Zeng & Chuan X, 2023. "Selective CO2 electrolysis to CO using isolated antimony alloyed copper," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    4. Wanyu Deng & Peng Zhang & Yu Qiao & Georg Kastlunger & Nitish Govindarajan & Aoni Xu & Ib Chorkendorff & Brian Seger & Jinlong Gong, 2024. "Unraveling the rate-determining step of C2+ products during electrochemical CO reduction," Nature Communications, Nature, vol. 15(1), pages 1-8, December.

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