Phosphinous Acid-Phosphinito Tetra-Icosahedral Au52Nanoclusters for Electrocatalytic Oxygen Reduction
文献类型：期刊论文
| 作者 | Zhuang, Shengli3,4; Chen, Dong2; Ng, Wai-Pan4; Liu, Dongyi4; Liu, Li-Juan4; Sun, Meng-Ying4; Nawaz, Tehseen4; Wu, Xia4; Zhang, Yao4; Li, Zekun4 |
| 刊名 | JACS Au
 |
| 出版日期 | 2022-11-28 |
| 卷号 | 2期号:11页码:2617-2626 |
| 关键词 | Density functional theory - Electrocatalysts - Electrolytic reduction - Gold - Ligands - Nanoclusters - Oxygen - Phosphorus |
| DOI | 10.1021/jacsau.2c00517 |
| 英文摘要 | While the formation of superatomic nanoclusters by the three-dimensional assembly of icosahedral units was predicted in 1987, the synthesis and structural determination of such clusters have proven to be incredibly challenging. Herein, we employ a mixed-ligand strategy to prepare phosphinous acid-phosphinito gold nanocluster Au52(HOPPh2)8(OPPh2)4(TBBT)16with a tetra-icosahedral kernel. Unlike expected, each icosahedral Au13unit shares one vertex gold atom with two adjacent units, resulting in a 'puckered' ring shape with a nuclearity of 48 in the kernel. The phosphinous acid-phosphinito ligand set, which consists of two phosphinous acids and one phosphinito motif, has strong intramolecular hydrogen bonds; the 蟺-蟺stacking interactions between the phosphorus- and sulfur-based ligands provide additional stabilization to the kernel. Highly stable Au52(HOPPh2)8(OPPh2)4(TBBT)16serves as an effective electrocatalyst in the oxygen reduction reaction. Density functional theory calculations suggest that the phosphinous acid-phosphinito ligands provide the most active sites in the electrochemical catalysis, with O鈭?formation being the rate-determining step. 漏 2022 American Chemical Society. All rights reserved. |
| 学科主题 | Hydrogen Bonds |
| 项目编号 | Financial support for this work was provided by The University of Hong Kong, the Research Grants Council of the Hong Kong Special Administrative Region, People&rsquo ; s Republic of China (RGC: 27301820 and 17313922), the Croucher Foundation, the Innovation and Technology Commission (HKSAR, China), the National Natural Science Foundation of China (No. 22201236, 21905284, and 22075290), Beijing Natural Science Foundation (No. Z200012), and State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences (MPCS-2021-A-05). W.-P.N. and J.Y. acknowledge the Computational Initiative provided by the Faculty of Science at The University of Hong Kong and Tianhe-2 computing service at the National Supercomputer Center in Guangzhou of China for their technical supports and allocation of CPU hours and the financial support from Hong Kong Quantum AI Lab Ltd. through the AIR@InnoHK program. |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/61275]  |
| 作者单位 | 1.Department of Medicinal Chemistry, Shantou University Medical College, Guangdong, Shantou; 515041, China 2.State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing; 100190, China 3.State Key Laboratory of Synthetic Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong; 999077, Hong Kong 4.Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, Hong Kong |
| 推荐引用方式 GB/T 7714 | Zhuang, Shengli,Chen, Dong,Ng, Wai-Pan,et al. Phosphinous Acid-Phosphinito Tetra-Icosahedral Au52Nanoclusters for Electrocatalytic Oxygen Reduction[J]. JACS Au,2022,2(11):2617-2626. |
| APA | Zhuang, Shengli.,Chen, Dong.,Ng, Wai-Pan.,Liu, Dongyi.,Liu, Li-Juan.,...&J., He.(2022).Phosphinous Acid-Phosphinito Tetra-Icosahedral Au52Nanoclusters for Electrocatalytic Oxygen Reduction.JACS Au,2(11),2617-2626. |
| MLA | Zhuang, Shengli,et al."Phosphinous Acid-Phosphinito Tetra-Icosahedral Au52Nanoclusters for Electrocatalytic Oxygen Reduction".JACS Au 2.11(2022):2617-2626. |
入库方式： OAI收割
来源：过程工程研究所
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