Non-Nernstian Effects in Theoretical Electrocatalysis

IF 51.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Dipam Manish Patel,  and , Georg Kastlunger*, 
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引用次数: 0

Abstract

Electrocatalysis is one of the principal pathways for the transition to sustainable chemistry, promising greater energy efficiency and reduced emissions. As the field has grown, our theoretical understanding has matured. The influence of the applied potential on reactivity has developed from the first-order predictions based on the Nernst equation to the implicit inclusion of second-order effects including the interaction of reacting species with the interfacial electric field. In this review, we explore these non-Nernstian field effects in electrocatalysis, aiming to both understand and exploit them through theory and computation. We summarize the critical distinction between Nernstian and non-Nernstian effects and outline strategies to address the latter in theoretical studies. Subsequently, we examine the specific energetic contributions of the latter on capacitive and faradaic processes separately. We also underscore the importance of considering non-Nernstian effects in catalyst screening and mechanistic analysis. Finally, we provide suggestions on how to experimentally unravel these effects, offering insights into practical approaches for advancing the field.

Abstract Image

理论电催化中的非能量效应
电催化是向可持续化学过渡的主要途径之一,有望提高能源效率和减少排放。随着这个领域的发展,我们的理论认识也日趋成熟。施加电位对反应性的影响已经从基于能斯特方程的一阶预测发展到隐含的二阶效应,包括反应物质与界面电场的相互作用。在这篇综述中,我们探讨了电催化中的这些非能场效应,旨在通过理论和计算来理解和利用它们。我们总结了能思效应和非能思效应之间的关键区别,并概述了在理论研究中解决后者的策略。随后,我们分别研究了后者对电容和法拉第过程的具体能量贡献。我们还强调了在催化剂筛选和机理分析中考虑非能斯蒂效应的重要性。最后,我们就如何通过实验揭示这些影响提供了建议,为推进该领域的实际方法提供了见解。
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来源期刊
Chemical Reviews
Chemical Reviews 化学-化学综合
CiteScore
106.00
自引率
1.10%
发文量
278
审稿时长
4.3 months
期刊介绍: Chemical Reviews is a highly regarded and highest-ranked journal covering the general topic of chemistry. Its mission is to provide comprehensive, authoritative, critical, and readable reviews of important recent research in organic, inorganic, physical, analytical, theoretical, and biological chemistry. Since 1985, Chemical Reviews has also published periodic thematic issues that focus on a single theme or direction of emerging research.
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