金纳米团簇的生长机理和性能调控的原位同步辐射研究

项目名称： 金纳米团簇的生长机理和性能调控的原位同步辐射研究

项目编号： No.21471143

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 无机化学

项目作者： 姚涛

作者单位： 中国科学技术大学

项目金额： 85万元

中文摘要： 金纳米团簇具有独特的物理、化学性质和在发光、催化等领域的广泛应用前景，已成为近年来纳米材料研究领域的热点。为了可控合成出具有特定原子构型的Au纳米团簇，并实现对其进行性能调控，需要深入了解纳米团簇的生长机理、进而研究表面巯基配体对纳米团簇的原子构型和电子结构的调控机制。本项目拟基于国内同步辐射大科学装置发展液相原位同步辐射谱学实验新方法，结合UV-vis和质谱等其它常规测量和分析手段，实时探测Au纳米团簇的液相生长和巯基配体脱附的动力学过程，揭示Au与配体间相互作用、以及团簇原子结构随团簇生长和配体脱附时间的演化规律。并结合第一性原理计算，确定团簇的电子结构、能级等的变化，在原子尺度上深化对Au纳米团簇的可控合成和性能调控机理的认识，指导设计纳米团簇的生长路径并操纵配体在纳米团簇表面脱附的反应过程，获得具有特定原子构型和优异性能的Au纳米团簇。

中文关键词： 金纳米团簇；原位同步辐射XAFS技术；生长机理；配体交换；结构和性能调控

英文摘要： Gold nanoclusters have attract intensive research interests owing to their unique physicochemical properties and potential applications in wide areas such as catalysis, optics, etc. To achieve the controllable synthesize of gold nanoclusters with well-defined atomic configuration, and the manipulation on their performances, it is quite essential to understand the formation process of nanoclusters, and to further reveal the control mechanism of thiols ligands on the atomic configuration and electronic structure of gold nanoclusters. To address this issue, the PI will develop an in situ XAFS spectroscopy based on the synchrotron radiation facilities. By using in situ XAFS technique, combinging with UV-vis, mass spectroscopy, and other routine characterizations, the PI is willing to probe real-time the formation process of solution-synthesized gold nanocrystals, and the kinetic desorption process of thiols ligands. The study will reveal the evolution laws of the interaction between Au and thiols ligands, as well as the atomic structures of nanoclusters with the growth and desorption time. Combining the first-principle calculations, the PI will deeply explore the variations of electronic structure and the band gap of gold nanoclusters. The aim is to unveil at the atomic level the mechanism of the controllable synthesis and the tailored performance of the nanoclusters. It is expected that these knowledges can provide experimental and theoretical strategies for designing the nanoclusters formation pathways, and controlling thiold ligands desorption processes to obtain the gold nanoclusters with well-defined configuration and high performances.

英文关键词： gold nanoclusters;in-situ synchrotron radiation XAFS spectroscopy;formation mechanism;ligands exchange;control on the structure and property