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氧电催化中的吸附能。

Adsorption Energy in Oxygen Electrocatalysis.

作者信息

Zhang Junming, Yang Hong Bin, Zhou Daojin, Liu Bin

机构信息

School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 637459, Singapore.

State Key Laboratory of Chemical Resource Engineering, Beijing Advanced Innovation Center for Soft Matter Science and Engineering, College of Chemistry, Beijing University of Chemical Technology, Beijing 100029, P. R. China.

出版信息

Chem Rev. 2022 Dec 14;122(23):17028-17072. doi: 10.1021/acs.chemrev.1c01003. Epub 2022 Sep 22.

Abstract

Adsorption energy (AE) of reactive intermediate is currently the most important descriptor for electrochemical reactions (e.g., water electrolysis, hydrogen fuel cell, electrochemical nitrogen fixation, electrochemical carbon dioxide reduction, etc.), which can bridge the gap between catalyst's structure and activity. Tracing the history and evolution of AE can help to understand electrocatalysis and design optimal electrocatalysts. Focusing on oxygen electrocatalysis, this review aims to provide a comprehensive introduction on how AE is selected as the activity descriptor, the intrinsic and empirical relationships related to AE, how AE links the structure and electrocatalytic performance, the approaches to obtain AE, the strategies to improve catalytic activity by modulating AE, the extrinsic influences on AE from the environment, and the methods in circumventing linear scaling relations of AE. An outlook is provided at the end with emphasis on possible future investigation related to the obstacles existing between adsorption energy and electrocatalytic performance.

摘要

反应中间体的吸附能(AE)是目前电化学反应(如水电解、氢燃料电池、电化学固氮、电化学二氧化碳还原等)最重要的描述符,它可以弥合催化剂结构与活性之间的差距。追溯AE的历史和演变有助于理解电催化并设计出最佳的电催化剂。本文聚焦于氧电催化,旨在全面介绍如何选择AE作为活性描述符、与AE相关的内在和经验关系、AE如何将结构与电催化性能联系起来、获得AE的方法、通过调节AE提高催化活性的策略、环境对AE的外在影响以及规避AE线性标度关系的方法。最后给出了展望,重点是与吸附能和电催化性能之间存在的障碍相关的未来可能研究方向。

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