Activity and stability proxies for automated evaluation of IrOx electrocatalysts under variable operating conditions

To accelerate the screening of electrocatalyst materials, it is necessary to enhance the efficiency of their performance evaluation and optimization under dynamic conditions. The activity and stability of electrocatalyst materials are two crucial metrics that are typically correlated, and thus need to be evaluated in parallel. However. assessing both activity and stability in a time-efficient, reliable and comparable manner remains a challenge. Given the rising interest in evaluating electrocatalysts under realistic fluctuating conditions, we propose an electrochemical approach that uses random sampling and Bayesian optimization to explore pulsed amperometry conditions in hydrous iridium oxides for the oxygen evolution reaction. This method provides activity and stability proxies independent of sample loading which are validated against literature data. • Novel proxies developed to evaluate IrOx activity and stability realistic, fluctuating operating condi-tions. • Bayesian optimization shown to accelerate screening of electrocatalyst performance. • Approach validated with literature data. • Methodology shown to be robust across samples and independent of catalyst loading. • Enables rapid, scalable, and automated assessment of electrocatalysts.

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Publication Details

Journal
Electrochemistry Communications
Published
2025-08-15
DOI
https://doi.org/10.1016/j.elecom.2025.108034
Primary Topic
Theoretical and Computational Physics
Type
article
Field-Weighted Citation Impact
0.00
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article

Activity and stability proxies for automated evaluation of IrOx electrocatalysts under variable operating conditions

Electrochemistry Communications
Theoretical and Computational Physics
article

Activity and stability proxies for automated evaluation of IrOx electrocatalysts under variable operating conditions

article en

Abstract

To accelerate the screening of electrocatalyst materials, it is necessary to enhance the efficiency of their performance evaluation and optimization under dynamic conditions. The activity and stability of electrocatalyst materials are two crucial metrics that are typically correlated, and thus need to be evaluated in parallel. However. assessing both activity and stability in a time-efficient, reliable and comparable manner remains a challenge. Given the rising interest in evaluating electrocatalysts under realistic fluctuating conditions, we propose an electrochemical approach that uses random sampling and Bayesian optimization to explore pulsed amperometry conditions in hydrous iridium oxides for the oxygen evolution reaction. This method provides activity and stability proxies independent of sample loading which are validated against literature data. • Novel proxies developed to evaluate IrOx activity and stability realistic, fluctuating operating condi-tions. • Bayesian optimization shown to accelerate screening of electrocatalyst performance. • Approach validated with literature data. • Methodology shown to be robust across samples and independent of catalyst loading. • Enables rapid, scalable, and automated assessment of electrocatalysts.

Electrochemistry CommunicationsVol. 179
Canadian Institute for Advanced Research (CA), University of Toronto (CA), Vector Institute (CA)
Openalex Percentile: Top 45%
Theoretical and Computational Physics
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