由贵金属(Au/Pt)颗粒或单原子与磁性金属化合物(Fe/Co/Ni的氧化物、磷化物、硫化物)构成的纳米颗粒，由于其在能源、催化等领域广泛的应用前景而备受关注。克服贵金属与磁性金属化合物间晶体结构差异获得单晶壳层结构、解决单原子的高密度负载和稳定性间的矛盾，以及在原子尺度原位表征其界面结构，成为当前的研究难点。本项目以材料的可控制备和构效关系为研究重点，以原子尺度原位表征为特色，开展贵金属-磁性金属化合物纳米材料的设计制备-结构和性能表征-构效关系的一体化研究。通过原位转换和强静电吸附方法制备一系列界面结构可控的纳米颗粒；利用以环境气氛透射电镜为代表的微结构表征平台，在原子尺度研究其界面结构及其在模拟使役条件下的动态演变过程；测试材料的催化、电存储性能，结合多尺度模拟计算，探究其构效关系，揭示贵金属-磁性金属化合物纳米颗粒的界面结构影响其催化、电存储性能的物理机制，推进其在相关领域的应用。

Nanoparticles (NPs) composed of noble metal NPs or single-atoms with magnetic metal compounds, including iron/cobalt/nickel oxides, phosphides and sulfides, have attracted much attention for their potential applications in the fields of energy and catalysis. Some critical issues still exist in the structure control and characterization of noble metal-magnetic metal compound nanomaterials, including obtaining core@shell or yolk-shell nanostructures with single crystal shells to overcome the crystal structure mismatch between noble metals and magnetic metal compounds, solving the conflict between the small size and stability of noble metal single-atoms, and characterizing the interface structure at the atomic scale. In this project, we focus on the controllable synthesis and structure-property relationship study. Taking the in-situ characterization as a breakthrough point, we will systematically investigate the design and fabrication, characterization and structure-property relationship of noble metal-magnetic metal compound NPs. Interface structure-controlled NPs will be synthesized with in-situ transformation and the strong electrostatic adsorption methods. Using the characterization platform, represented by environmental transmission electron microscope (ETEM), we expect to obtain the interface structure and the dynamic structure evolution in the working conditions at the atomic scale. The structure-property relationship will be investigated by analyzing their catalytic and electrical storage performances with the combination of multi-scale simulations. We expect to reveal the physical mechanism of the influence of interface structure on their catalytic and electrical storage properties, and to promote their applications in related fields.