实现超原子单元的定向有序组装，是目前超原子材料研究所面临的关键科学问题。本项目拟以Pt/Pd/Au为核心，运用动力学控制、热力学选择方式构建二十面体M@Ag12（M=Pt/Pd/Au）单元。运用可控的金属交换方式在二十面体表面特定位置进行金掺杂，利用表面金作为超原子单元聚合位点，实现二十面体的定向有序组装，构筑超原子组装材料。培养团簇晶体，利用X-射线单晶衍射、X-射线光电子能谱、差示热分析等手段对聚集体结构进行精确表征。在结构精确的基础上，我们研究不同组装形式的超原子材料的光学和催化性质；同时结合理论计算，阐明不同组装形式对于性质的影响规律。此项研究为设计合成具有特异结构/性能的超原子组装体奠定实验基础，提供理论指导。

The realization of directed and orderly assembly of superatomic is a key scientific issue for the research of the current superatomic materials. This project intends to construct the icosahedral M@Ag12 (M= Pt/Pd/Au) unit with Pt/Pd/Au as the core via dynamic control and thermodynamic selection.The controlled metal exchange method is used to dope gold atoms into a specific position on the surface of the icosahedron, and the surface gold atoms are used as a polymerization site to realize the orientation and orderly assembly of the icosahedron, constructing a superatom assembly material. The obtained cluster crystals are characterized by X-ray single crystal diffraction, X-ray photoelectron spectroscopy and thermogravimetric analysis. On the basis of well-determined structure, we study the optical and catalytic properties of different superatomic materials assembled in different forms. Combined with theoretical calculations, the influence of different assembly forms on properties is clarified. This study provides an experimental basis for designing and synthesizing superatomic assemblies with specific structures/performances, and provides theoretical guidance.