Citation: Jinzhou Zheng, Chaozheng He, Chenxu Zhao. Rational catalyst design for N₂ electro-reduction: Regulation strategies and quick screen towards enhanced conversion efficiency[J]. Chinese Chemical Letters, ;2025, 36(7): 111056. doi: 10.1016/j.cclet.2025.111056 shu

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

Institute of Environmental and Energy Catalysis, School of Materials Science and Chemical Engineering, Xi’an Technological University, Xi’an 710021, China

Received Date: 19 December 2024
Revised Date: 23 February 2025
Accepted Date: 7 March 2025
Available Online: 7 March 2025

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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.
- N₂ electroreduction,
- Regulation strategy,
- Quick screen,
- Descriptor
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Rational catalyst design for N2 electro-reduction: Regulation strategies and quick screen towards enhanced conversion efficiency

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通讯作者: 陈斌, bchen63@163.com

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