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Updated: Jul 4, 2026

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Published on: December 6, 2021
Ligand-controlled engineering of Cu-H active sites on Cu25 hydride nanoclusters for efficient CO2 electroreduction
Zongchen Xiang1, Yang Zuo2, Xinru Zhai2
1Key Laboratory of Optic-electric Sensing and Analytical Chemistry for Life Science, MOE, Shandong Key Laboratory of Biochemical Analysis, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, P. R. China. shuxin_wang@qust.edu.cn.
None:
Atomic-level control of catalytic selectivity is critical to nanocatalyst design. Here, we report two structurally defined Cu hydride nanoclusters, [Cu25H22(p-FPh3P)12]+ and [Cu25H10(2,4-F2PhS)18]3-, with distinct hydride contents that govern active-site exposure and CO2 electroreduction selectivity. Phosphine ligand dissociation in Cu25H22-P exposed Cu-H sites and favored C2H4 formation, whereas intrinsically exposed Cu-S sites in Cu25H10-S promoted CH4 production. These findings establish hydride ligands as key regulators of active-site structure and product selectivity in Cu nanoclusters.
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