新型磷酸盐发光材料的晶体结构、电子结构与量子效率和热稳定性关系研究

This project aims to investigate the inherent relationships between chemical compositions, microstructures and luminescence properties, in which typical compounds with different structures in MO-In2O3-P2O5 (M=Mg, Ca, Sr, Ba) systems are selected as the host matrix with different activator ions doped in. Through doping the same (different) matrix compound with different (the same) dopants, the influence of the type and content of dopants on the bond composition (the ratio of ionic bonds to covalent bonds) in the doped-matrix is to be analyzed. The effect regularities of how crystal structure, atomic bonding composition and temperature to the crystal fields, electronic structures (band gap type or intermediate energy level) as well as the transition characteristics and probabilities between energy levels in the activator ions are to be investigated, which could contribute to the further clarification of the intrinsic factors that influence the luminescence properties of materials, such as quantum efficiency and thermal stability. It is supposed to be of guiding significances to developing high-performance phosphors for LED applications.

本项目拟选择MO-In2O3-P2O5 (M=Mg, Ca, Sr, Ba)体系中具有代表性的不同结构的化合物为研究对象，通过采用在多种基质晶格中进行不同激活剂离子掺杂取代的方式，围绕发光材料成分-微观结构-宏观性能之间内在联系这一主线展开科学研究。对同种（不同）基质化合物进行不同（同种）掺杂，分析激活剂离子的种类和浓度对化合物内部离子间结合键成分（离子键与共价键比例）的影响，研究晶体结构、原子结合键成分和温度对其晶体场、电子结构（带隙类型或中间能级）和激活剂离子跃迁能级分布及跃迁几率的作用规律，有助于更深层揭示影响材料量子效率、热稳定性等发光性能的本质因素，对研发可用于LED领域的高性能荧光粉具有理论指导意义。

为了推动显示和照明产业的发展、改善国计民生，有必要开发新型荧光基质及制备具有高热稳定性、高效率、不同应用场景需要的荧光粉。本项目基于相关系研究在MO-In2O3-P2O5 (M=Mg, Ca, Sr, Ba)体系中发现并合成了一系列新型磷酸盐。对不同新颖层状结构的化合物的阳离子格位进行不同激活剂离子取代，开展了激活剂-局域环境-发光性能构效关系研究。对同种（不同）基质化合物进行不同（同种）掺杂，分析激活剂离子的种类、价态、浓度、占位、对称性、多面体畸变度对发光行为的影响及规律，深层揭示了影响材料量子效率、热稳定性等发光性能的关键因素。在此基础上，开发了一系列具有自主知识产权的显示、照明和温敏等荧光基质及荧光粉材料。本项目形成的研究成果为研发新型高性能荧光粉尤其是LED领域荧光粉提供了重要的理论指导和实验参考。