从当今物质科学发展趋势和国家重大需求出发，通过化学、物理、生命、材料、信息、环境、天文等多学科交叉，进行多学科交叉的综合研究，发展新型团簇及其多级结构构筑的新反应、新方法、新概念和新策略，建立适于团簇高精度、高分辨表征的新技术，从原子水平揭示团簇特殊性质的结构基础与演变规律，理解团簇结构与功能的关联，制备功能团簇材料与器件，解决当前多学科中涉及团簇这一物质层次的若干重大科学问题。. 该重大研究计划充分利用团簇这一具有精准分子结构的介观尺度物质层次的特点，发挥团簇作为关联物质微观结构与宏观性质的理想模型的优势，拟解决的核心科学问题包括：团簇构效关系、物质结构与性能随团簇尺寸的变化规律、团簇稳定性机制、多级团簇中主客体的作用机制及功能导向的多级团簇结构的精准构筑和宏量制备。该重大研究计划的组织实施将围绕团簇稳定机制、团簇电子结构的规律和多级团簇功能的调控原理等关键科学问题而展开。

Based on the development trend of current material science and the urgent needs of the country, the overall scientific goals of the major research project are to develop novel clusters and new reaction, new method, new concept and new strategy for multi-level structural construction of novel clusters through interdisciplinary study of chemistry, physics, biology, material, information, environment, astronomy etc. The research scope includes establishing new technologies suitable for high-precision and high-resolution characterization of clusters, revealing the structural inherence and evolution regularity of clusters with special properties in atomic precise, understanding the relationship of cluster structure and function, preparing functional cluster materials and devices, solving some key scientific issues in materials related to clusters in multiple disciplines..The purposes of the major research project are to make full use of the characteristic cluster as a mesoscopic dimension material with precise molecular structure, to give full play to the advantage of clusters as an ideal model for correlating micro structure and macro property of materials. The major scientific problems to be solved include the structure-function relationship of clusters, the evolution of structure and property as a function of the cluster size, the stability mechanism of clusters, the mechanism of the host-guest interaction in multi-level clusters, the precise construction and large-scale preparation of function-oriented clusters. The organization and implementation of the major research project will focus on the key scientific issues, including the mechanism responsible to the stability of clusters, the regularity of electronic structure of clusters, and the modulation principle of function of hierarchical clusters.