塔菲尔方程
过电位
电催化剂
循环伏安法
催化作用
化学
反应速率常数
计算机科学
氧化还原
电化学
物理化学
无机化学
动力学
物理
有机化学
量子力学
电极
作者
Soumalya Sinha,Ashwin Chaturvedi,Nilakshi Devi,Pramod Tiwari,Jianbing Jiang
标识
DOI:10.1021/acs.jchemed.4c00932
摘要
Analysis of cyclic voltammetry data has become essential to gain kinetic insights into electrocatalytic reactions, particularly in the field of small molecule activation. In such studies, the shapes of redox waves of the cyclic voltammograms are informative to distinguish between the catalytic and noncatalytic reactions. Kinetic parameters such as turnover frequencies (TOFs), rate constants, etc. can be extracted from the catalytic current–potential profiles. "Foot-of-the-wave" analysis (FOWA) is one such analysis, proposed by Savéant and Costentin, that provides kinetic information on electrocatalytic reactions. Although FOWA has been explained by many others, performing such analysis in practice, especially for new learners, is often intimidating. We present our recently developed web interface that provides a more flexible, reliable, and user-friendly platform for performing FOWA. We also provide step-by-step guidelines and training modules for studying FOWA that could help learners find the rate constant of the electrocatalytic reaction. Furthermore, our web design also provides opportunities to construct comparative catalytic Tafel plots, which are typically used to compare the TOF-overpotential relationship among the catalysts. We have also put efforts into building a database of the kinetic information for reported molecular electrocatalysts; primarily for the electrochemical carbon dioxide reduction reaction and hydrogen evolution reaction. The database can be further extended to other disciplines in electrocatalysis in the future. Overall, we believe that this web platform would benefit the global electrochemistry community, especially aspiring FOWA learners.
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