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

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New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts
Chemical Science ( IF 7.6 ) Pub Date : 2021-1-7 , DOI: 10.1039/d0sc05923d
Xuejuan Zou _{1,

2} , Shuping He _{1,

2} , Xi Kang _{1,

2} , Shuang Chen _{2,

3} , Haizhu Yu _{1,

2} , Shan Jin _{2,

3} , Didier Astruc ₄ , Manzhou Zhu _{1,

2,

3}

Affiliation

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.

中文翻译：

新型原子级精确的 M1Ag21 (M = Au/Ag) 纳米团簇作为优异的氧还原反应催化剂

通过引入 1,1'-双（二苯基膦）二茂铁 (dppf) 作为活化配体，两种新型纳米团簇M ₁ Ag ₂₁ (M = Au/Ag) 已被可控合成并进行了结构表征。M ₁ Ag ₂₁纳米团簇的原子精确结构由SCXC确定，并通过ESI-TOF-MS、TGA、XPS、DPV和FT-IR测量进一步证实。负载在活性炭（C）上的M 1 _Ag 21_{纳米团簇被用作碱性溶液中的高效氧还原反应（ORR）催化剂。}密度泛函理论（DFT）计算验证了两个基于簇的系统的催化活性源于M ₁₃核和M ₁ Ag ₂₁中的dppf配体之间显着的整体协同效应。这项工作揭示了基于簇的电催化剂和其他由外围配体活化和改性的催化剂的制备。

更新日期：2021-01-28

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