Effective Descriptor for Nitrogen Reduction on Atomic Catalysts

doi:10.1007/s10562-022-03979-4

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	Effective Descriptor for Nitrogen Reduction on Atomic Catalysts
	X. Liu; L. J. Qi; E. H. Song and W. Gao
刊名	Catalysis Letters
	2023
卷号	153 期号:1 页码:300-310
ISSN号	1011-372X
DOI	10.1007/s10562-022-03979-4
英文摘要	Single- and bi-atom catalysts (SACs and BACs) exhibit great potential in catalyzing electrochemical nitrogen reduction reaction (NRR) due to their unusual coordination-environment effect of active centers, which unfortunately remains elusive so far. Herein, by applying a descriptor psi based on the valence-electron number and electronegativity of the catalytic centers, we have systematically studied NRR on SACs and BACs with diverse coordination environments. Our results quantify the elemental type and number of metal atoms and their neighbors at the active centers on the adsorption properties and reactivity of atomic catalysts. This uncovers the pronounced differences and similarities between SACs, homonuclear BACs, and heteronuclear BACs as well as the unique role of N dopant. With these findings, we have also predicted that Ir-N4-SAC and TiMn-N6-BAC as promising candidates for further experimental studies. Therefore, our findings can serve as useful guidelines for developing high-performance catalysts for NRR. [GRAPHICS] .
URL标识	查看原文
语种	英语
内容类型	期刊论文
源URL	[http://ir.ciomp.ac.cn/handle/181722/66595]
专题	中国科学院长春光学精密机械与物理研究所
推荐引用方式 GB/T 7714	X. Liu,L. J. Qi,E. H. Song and W. Gao. Effective Descriptor for Nitrogen Reduction on Atomic Catalysts[J]. Catalysis Letters,2023,153(1):300-310.
APA	X. Liu,L. J. Qi,&E. H. Song and W. Gao.(2023).Effective Descriptor for Nitrogen Reduction on Atomic Catalysts.Catalysis Letters,153(1),300-310.
MLA	X. Liu,et al."Effective Descriptor for Nitrogen Reduction on Atomic Catalysts".Catalysis Letters 153.1(2023):300-310.