贵金属纳米结构的形成机制及其与表面活性剂的相互作用

Nanomaterials will be one of the most promissing materials in the 21st century, and it will be the main task to design and prepare the functional nanomaterials with superior performance based on the appliction requirements in the early 21st century. Therefore, it is very important to clearify the interaction between nanomaterials and surfactant and to study the formation mechanism of nanomaterials in solution in order to achieve their controlled growth. In the project, we select the noble metal nanostructure as the research object to establish an efficent method that combine molecular dynamics simulation, XAS experiment and multiple scattering calculation to study the nucleation and growth mechnism of the noble metal nanostructure in solution and study the evolution from the noble metal precursor to nanostructure, and this study will provide a theoretical basis for the controlable synthesis of the noble metal nanomaterials with differernt surfactant. On the other hand, we also try to give the interaction information between the noble metal nanostructure and surfactant by using in-situ heating XRD, SAXS and XAS technique, and this will provide structural basis for understanding the relationship between the interface structure of the noble metal nanostructure and their properties, and lay a solid basis for the application of the noble metal functional nanomaterials.

纳米材料是21世纪最有前途的材料之一，如何依据应用需求设计出具有优越性能的功能纳米材料将是21世纪初的主要任务。因此研究纳米材料在溶液中的形核生长机制从而实现纳米材料的可控生长以及弄清楚他们和表面活性剂的相互作用有重要的意义。本项目拟选取贵金属纳米材料为研究对象，建立一种使用分子动力学模拟、XAS实验和多重散射理论结合研究贵金属纳米材料在溶液中形核生长过程的方法，研究从先驱体到贵金属纳米材料的演化过程，为如何实现贵金属纳米材料可控生长提供理论依据，据此制备出不同表面活性剂包裹的、形状和尺寸可控的贵金属纳米材料。同时使用XRD、SAXS和XAS结合原位加热技术研究贵金属纳米材料和表面活性剂的相互作用，为认识其界面结构与纳米材料的性能的关系提供结构依据，为贵金属功能纳米材料的应用打下坚实的基础。

按照年度计划，项目组成员围绕功能纳米材料的生长机制与同步辐射表征，逐步设计和合成了多种新型纳米功能材料及其复合体系，并对新材料的结构进行调制，同时结合原子分辨电镜成像和同步辐射多种手段对纳米材料进行精细表征。我们已成功地获得了多种高性能的功能材料体系，并依托同步辐射光谱等先进表征手段，逐步建立了纳米新材料的微结构、电子结构与性能之间的内在联系关系。本项目的研究结果可以为功能纳米材料的理性设计、可控合成和同步辐射精细表征提供较好的实验指导，为进一步开展功能纳米材料的应用积累了宝贵的研究经验。相关的研究成果项目组成员共计发表SCI论文12篇，包括1篇Nano Letters，1篇Nanoscale, 3篇The Journal of Physical Chemistry C，影响因子超过4的共计7篇。此外，本项目在研期间，共培养博士2名，硕士1名。