Xiaowen Sun, Rafael B. Araujo, Egon Campos dos Santos, Yuanhua Sang, Hong Liu and Xiaowen Yu
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引用次数: 0
Abstract
Descriptors play a crucial role in electrocatalysis as they can provide valuable insights into the electrochemical performance of energy conversion and storage processes. They allow for the understanding of different catalytic activities and enable the prediction of better catalysts without relying on the time-consuming trial-and-error approaches. Hence, this comprehensive review focuses on highlighting the significant advancements in commonly used descriptors for critical electrocatalytic reactions. First, the fundamental reaction processes and key intermediates involved in several electrocatalytic reactions are summarized. Subsequently, three types of descriptors are classified and introduced based on different reactions and catalysts. These include d-band center descriptors, readily accessible intrinsic property descriptors, and spin-related descriptors, all of which contribute to a profound understanding of catalytic behavior. Furthermore, multi-type descriptors that collectively determine the catalytic performance are also summarized. Finally, we discuss the future of descriptors, envisioning their potential to integrate multiple factors, broaden application scopes, and synergize with artificial intelligence for more efficient catalyst design and discovery.
描述符在电催化中发挥着至关重要的作用,因为它们可以为能量转换和储存过程的电化学性能提供宝贵的见解。通过描述符可以了解不同的催化活性,并预测更好的催化剂,而无需依赖耗时的试错方法。因此,本综合综述重点强调了关键电催化反应常用描述符的重大进展。首先,概述了几个电催化反应中涉及的基本反应过程和关键中间产物。随后,根据不同的反应和催化剂对三类描述子进行了分类和介绍。这些描述符包括 d 带中心描述符、易于获取的固有属性描述符和自旋相关描述符,它们都有助于深入理解催化行为。此外,我们还总结了共同决定催化性能的多类型描述符。最后,我们讨论了描述符的未来,展望了描述符整合多种因素、拓宽应用范围以及与人工智能协同提高催化剂设计和发现效率的潜力。
期刊介绍:
Chemical Society Reviews is published by: Royal Society of Chemistry.
Focus: Review articles on topics of current interest in chemistry;
Predecessors: Quarterly Reviews, Chemical Society (1947–1971);
Current title: Since 1971;
Impact factor: 60.615 (2021);
Themed issues: Occasional themed issues on new and emerging areas of research in the chemical sciences