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New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts.

Xuejuan ZouShuping HeXi KangShuang ChenHai-Zhu YuShan JinDidier AstrucMan-Zhou Zhu
Published in: Chemical science (2021)
By introducing 1,1'-bis-(diphenylphosphino)ferrocene (dppf) as an activating ligand, two novel nanoclusters, M1Ag21 (M = Au/Ag), have been controllably synthesized and structurally characterized. The atomically precise structures of the M1Ag21 nanoclusters were determined by SCXC and further confirmed by ESI-TOF-MS, TGA, XPS, DPV, and FT-IR measurements. The M1Ag21 nanoclusters supported on activated carbon (C) are exploited as efficient oxygen reduction reaction (ORR) catalysts in alkaline solutions. Density functional theory (DFT) calculations verify that the catalytic activities of the two cluster-based systems originate from the significant ensemble synergy effect between the M13 kernel and dppf ligand in M1Ag21. This work sheds lights on the preparation of cluster-based electrocatalysts and other catalysts that are activated and modified by peripheral ligands.
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