Rational catalyst design for N2 electro-reduction: Regulation strategies and quick screen towards enhanced conversion efficiency

IF 9.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Chinese Chemical Letters Pub Date : 2025-03-07 DOI:10.1016/j.cclet.2025.111056

Jinzhou Zheng, Chaozheng He, Chenxu Zhao

引用次数: 0

Abstract

Ammonia is a key industry raw material for fertilizers and the electro-reduction of N₂ (NRR) can be served as a promising method. It is urgently needed to discover advanced catalysts while the lack of design principles still hinders the high-throughput screen of efficient candidates. Herein, we have provided an up-to-date review of NRR catalysts mainly on theoretical works and highlighted the latest achievements on descriptors, which can be served as valid guidance of optimal catalysts. The descriptors are classified with adsorption energy and the corresponding derived ones, which can screen the NRR catalysts from various aspects. Finally, the challenges and opportunities in the descriptor field are presented.

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N2电还原催化剂的合理设计：提高转化效率的调控策略和快速筛选

氨是一种重要的工业肥料原料，电还原N2是一种很有前途的方法。迫切需要发现先进的催化剂，但设计原则的缺乏仍然阻碍了高效候选催化剂的高通量筛选。本文主要从理论方面对NRR催化剂进行了综述，重点介绍了描述符方面的最新研究成果，为优选催化剂提供了有效的指导。描述符按吸附能和相应的衍生能进行分类，可从多个方面对NRR催化剂进行筛选。最后，提出了描述符领域面临的挑战和机遇。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chinese Chemical Letters 化学-化学综合

CiteScore

14.10

自引率

15.40%

发文量

8969

审稿时长

1.6 months

期刊介绍： Chinese Chemical Letters (CCL) (ISSN 1001-8417) was founded in July 1990. The journal publishes preliminary accounts in the whole field of chemistry, including inorganic chemistry, organic chemistry, analytical chemistry, physical chemistry, polymer chemistry, applied chemistry, etc.Chinese Chemical Letters does not accept articles previously published or scheduled to be published. To verify originality, your article may be checked by the originality detection service CrossCheck.