Ba3BPO7中的缺陷发光机理与光谱调控研究

项目名称： Ba3BPO7中的缺陷发光机理与光谱调控研究

项目编号： No.21501153

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 韩冰

作者单位： 郑州轻工业学院

项目金额： 25万元

中文摘要： 本项目拟围绕在固相反应中还原气氛下合成的Ba3BPO7在紫外光激发下具有可见光发射这种不寻常的光谱性质开展相关的研究工作。利用X射线粉末衍射, X射线光电子能谱, 红外光谱，拉曼光谱，荧光光谱等表征手段并结合密度泛函理论(DFT)研究并阐明Ba3BPO7中可见光发射的来源与机理。通过调控Ba3BPO7材料的缺陷能级与电子结构实现其激发/发射光谱带的位置与强度的可调性，有望制备出一类新型在紫外光激发下具有可见光发射的无激活离子掺杂的硼磷酸盐荧光材料。通过掺杂具有光学活性的金属离子如稀土离子，非稀土离子等，研究还原气氛下基质中产生的缺陷与掺杂的激活离子之间的协同发光效应与能量传递过程，实现Ba3BPO7基荧光材料的宽色域发射特性。本项目的开展不仅丰富了硼磷酸盐基荧光材料的缺陷化学与光谱学的内容，而且为设计新型荧光材料提供了新的思路与方法，具有一定的理论意义与现实意义。

中文关键词： 光致发光；发光机理；无机材料

英文摘要： This project is planned to carry out relevant research work based on the unusual spectroscopic properties of Ba3BPO7, which can be synthesized in a solid state reaction under reduction atmosphere and show the visible light emission under ultraviolet excitation. The origin and mechanism of the visible light emission in Ba3BPO7 will be investigated and elucidated by various characterization methods such as X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy (RS) and fluorescence spectroscopy (FS) measurements as well as Density Functional Theory (DFT). The location and intensity of excitation and emission bands of Ba3BPO7 material can be controlled by regulating the defect energy levels and electronic structure of Ba3BPO7 material. A novel type of non-activated ion doped borophosphate luminescent materials with visible light emission under ultraviolet excitation can be obtained in this project. Then, the synergistic luminescence effect and energy transfer process between the defects and activated ions in Ba3BPO7 will be investigated by doping the metal ions with optical activity into the Ba3BPO7 matrix, and the luminescence properties with wide color gamut in Ba3BPO7 based materials can be achieved. This project can not only enrich the content about the defect chemistry and spectroscopy of borophosphate based luminescence materials, but also provide new ideas and methods for the design of novel luminescence materials, and has a certain theoretical and practical significance.

英文关键词： photoluminescence;luminescence mechanism;inorganic material