空心分级结构氟化物:构筑、自模板机理拟合及光学性质

Inorganic metal fluorides have attracted increasing attention due to their many potential applications in optics, biological labeling fields, etc. However, the hollow hierarchical metal fluorides micro/nanostructures have not been reported so far. In literatures, various surfactants or additives are usually used in the synthetic process, consequently, it is difficult to deal with in subsequent process, furthermore, the mechanisms of the self-assembly process are not clear yet. The aim of this work is to explore a self-template oriented route to fabricate complex hierarchical hollow micro/nanostructures by self-assembly process from nanoscale building blocks via mild solution phase methods. In the absence of any additives, the unique fluoride are choosing and designing to be used as fluoride sources and oriented soft-templates. The effects of various reaction conditions including different fluoride sources and different synthesis routes on the morphologies of the as-prepared products will be discussed. The key roles of the self-assembly process in the formation of the hierarchical structures and the relationship between fluoride structures and influence will be studied in detail by investigating the informations of intermediates. By using Gauss and VASP.software, we will construct and simulate the self-template oriented mechanisms. The optical properties of the metal fluoride hollow hierarchical.micro/nanostructures will be characterized. The optical properties of the materials will be explicated by VASP calculation and simulation. Furthermore, the relationship between the micro/nanostructures and properties will be investigated. This work will explore a seires of new avenues for the solution phase preparation of metal fluoride hierarchical hollow structures, and provide theoretical and experimental basis for the fabrication other hierarchical structures by self-assembly process.

金属氟化物由于在发光材料、生物标记等领域的独特应用而受到人们青睐，然而对空心分级结构氟化物纳米材料的研究却很少。已有研究在制备时都需加入表面活性剂或辅助分子，使合成及处理过程复杂化，且自组装机理不明确。鉴于此，本项目提出自模板导向法可控构空心分级结构氟化物。采用液相法，不添加任何辅助分子，选择、设计合成具有特殊功能的氟源，同时作为氟离子源和结构调节剂,以自模板导向新途径，通过纳米微粒自组装构筑空心分级结构氟化物。通过对氟源及反应参数的调节，研究中间产物信息及制备空心分级结构的影响因素，阐明氟源构效关系，并用Gauss、VASP等计算软件构建、模拟自模板导向构筑分级结构的形成机理。研究空心分级结构氟化物的发光性质，并根据VASP软件计算拟合材料的光学性质，明确空心分级结构与性质之间的内在关系。本项目将发展可控构筑空心分级结构氟化物的新途径，为自组装制备分级结构提供理论和实验依据。

金属氟化物微纳米材料与金属氧化物、硫化物纳米材料相比等具有低声子能、高透明度和离子性，因此在发光材料、催化、生物标记等领域具有广泛的应用前景。而分级结构微/纳米材料，是通过低维度的纳米结构单元构筑而成，因此既有单体的优异纳米特性，又有纳米结构单元组合产生的耦合效应、协同效应，大大拓展了传统材料的功能和应用领域。本项目合成了一系列形貌新颖、尺寸均匀的具有分级结构的金属氟化物微/纳米材料，研究了这些材料的光催化活性和荧光性质，并对产物的微观结构与性质之间的构效关系进行了详细探讨，为金属氟化物纳米材料的设计合成提供了有力的理论指导。