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. Qi; E. Song and W. Gao
	2023
发表期刊	Catalysis Letters
ISSN	1011372X
卷号	153 期号:1 页码:300-310
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 ψ 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. Graphical Abstract: [Figure not available: see fulltext.] © 2022, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.
DOI	10.1007/s10562-022-03979-4
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收录类别	ei
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文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/67725
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. Qi,E. Song and W. Gao. Effective Descriptor for Nitrogen Reduction on Atomic Catalysts[J]. Catalysis Letters,2023,153(1):300-310.
APA	X. Liu,L. Qi,&E. 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.

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