Ammonia is a key industry raw material for fertilizers and the electro-reduction of N_(2)(NRR)can be served as a promising method.It is urgently needed to discover advanced catalysts while the lack of design principle...Ammonia is a key industry raw material for fertilizers and the electro-reduction of N_(2)(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.展开更多
基金supported by the National Natural Science Foundation of China(No.21603109)the Henan Joint Fund of the National Natural Science Foundation of China(No.U1404216)+2 种基金the Special Fund of Tianshui Normal University,China(No.CXJ2020-08)the Scientific Research Program Funded by Shaanxi Provincial Education Department(No.20JK0676)supported by Natural Science Basic Research Program of Shanxi(Nos.2022JQ-108,2022JQ-096).
文摘Ammonia is a key industry raw material for fertilizers and the electro-reduction of N_(2)(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.
