电催化CO2还原高值烃的单原子催化剂设计原则。

IF 3.5 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Wenhao Zhao, Shifu Wang, El Mehdi Chatir, Xuning Li, Yanqiang Huang
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引用次数: 0

摘要

二氧化碳电化学还原(CO2RR)被认为是一种很有前途的方法,可以在生产有价值的化学原料和燃料的同时减少碳排放。在可能的产物中,乙烯和乙醇等多碳(C2+)化合物由于其较高的能量密度和工业相关性而非常理想。近年来,单原子催化剂(SACs)凭借其高原子效率和活性位点可调的特点,成为CO2RR领域的一种强有力的电催化剂。然而,诸如缓慢的C─C耦合动力学、催化位点的动态演化、对反应机理的了解有限以及难以控制产物选择性等挑战阻碍了它们进一步大规模应用的发展。因此,本文探讨了二氧化碳转化为C2+产物的潜在机制,强调了提高C─C偶联效率和选择性的催化剂设计策略。此外,还讨论了原位表征技术的最新进展,这些技术提供了原子水平上对反应中间体和活性位点演化的见解。最后,强调了机器学习方法在通过优化sac结构、识别关键设计参数和预测催化性能来加速催化剂发现方面的潜力。总体而言,本研究旨在为sac的合理设计提供综合参考,以便有效和选择性地将CO2转化为C2产品。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Design Principles of Single-Atom Catalysts for Electrocatalytic CO2 Reduction to High-Value Hydrocarbons.

The CO2 electrochemical reduction (CO2RR) is regarded as a promising approach to mitigate carbon emissions while producing valuable chemical feedstocks and fuels. Among the possible products, multi-carbon (C2+) compounds such as ethylene and ethanol are highly desirable due to their higher energy density and industrial relevance. Recently, single-atom catalysts (SACs) have emerged as a powerful class of electrocatalysts in CO2RR, offering high atomic efficiency and tunable active sites. However, challenges such as sluggish C─C coupling kinetics, dynamic evolution of the catalytic sites, limited understanding of reaction mechanism, and difficulties at controlling product selectivity hinder their further development for large-scale application. Hence, this review explores the underlying mechanisms for CO2 to C2+ product conversion, emphasizing catalyst design strategies to enhance C─C coupling efficiency and selectivity. Furthermore, recent advances in in situ characterization techniques that provide atomic-level insights into reaction intermediates and active site evolution are discussed. Finally, the potential of machine learning approaches in accelerating catalysts discovery by optimizing SACs structures, identifying key design parameters, and predicting catalytic performance is highlighted. Overall, this study aims to provide a comprehensive reference for the rational design of SACs for effective and selective CO2 conversion into C2 products.

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来源期刊
Chemistry - An Asian Journal
Chemistry - An Asian Journal 化学-化学综合
CiteScore
7.00
自引率
2.40%
发文量
535
审稿时长
1.3 months
期刊介绍: Chemistry—An Asian Journal is an international high-impact journal for chemistry in its broadest sense. The journal covers all aspects of chemistry from biochemistry through organic and inorganic chemistry to physical chemistry, including interdisciplinary topics. Chemistry—An Asian Journal publishes Full Papers, Communications, and Focus Reviews. A professional editorial team headed by Dr. Theresa Kueckmann and an Editorial Board (headed by Professor Susumu Kitagawa) ensure the highest quality of the peer-review process, the contents and the production of the journal. Chemistry—An Asian Journal is published on behalf of the Asian Chemical Editorial Society (ACES), an association of numerous Asian chemical societies, and supported by the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society), ChemPubSoc Europe, and the Federation of Asian Chemical Societies (FACS).
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