碱土金属硅氮化物系列荧光粉体的场助合成、多层次结构调控与发光性能增强

The project aims at the system design, field-assisted synthesis, multi-level structure tailoring and performance enhancement of alkaline earth silicon nitride phosphors studied by combining theoretical simulations and experimental tests. We firstly build a series of alkaline earth silicon nitride phosphors systems with different doping elements and contents according to the different substitutional sites. The structural stabilities, the ligand environments of the active ion, and band structures of these systems are systematically investigated to select the appropriate doping systems based on high-throughput first-principles calculations. In experiments, we are committed to develop the low-temperature and high-efficient technique for the synthesis of alkaline earth silicon nitride phosphors with controlled doping, single phase and good crystallization. The relationships between the photoluminescence properties and multi-level structures (lattice configurations, band structures and microscopic structures) of alkaline earth silicon nitride phosphors are investigated and built, to uncover the photoluminescence mechanism. The project will realize the multi-level structures tailoring, photoluminescence properties enhancement and application performances improvement of alkaline earth silicon nitride phosphors. The project will eventually provide key materials and technical support for promoting the commercial application of nitride phosphors in advanced lighting and display device.

本项目以碱土金属硅氮化物系列荧光粉体的体系设计、场助合成、多层次结构调控与性能提升为目标，从理论计算和实验分析两个方面开展研究工作。根据不同取代位置，选择不同的掺杂元素和添加含量，设计并构建多个元素掺杂的氮化物系列荧光粉体计算模型，基于高通量第一性原理理论计算，研究掺杂对结构稳定性、激活离子配位体环境、能带结构的影响规律；研发碱土金属硅氮化物粉体的低温、高效场助合成制备与可控掺杂新技术，获得掺杂可控、物相单一、结晶良好的氮化物系列荧光粉体；结合理论计算和实验测试，分析、阐明荧光粉体的多层次结构（显微结构、晶格结构、能带结构）与其发光性能的关联关系；揭示光致发光机理，实现对碱土金属硅氮化物系列荧光粉体的多层次结构调控与发光性能增强，并进一步提升其应用性能，为推进先进照明及显示器件的商业应用提供核心材料与技术支撑。

项目以碱土金属硅氮化物系列荧光粉体的体系设计、场助合成、多层次结构调控与性能提升为目标，从理论计算和实验制备、性能增强方面开展研究工作。根据不同取代位置，选择不同的掺杂元素和添加含量，设计并构建多个元素掺杂的硅氮化物系列荧光粉体计算模型；基于高通量第一性原理理论计算，研究了掺杂对结构稳定性、激活离子配位体环境、能带结构的影响规律；发展了硅氮化物粉体的低温、高效场助合成制备新技术，获得了系列掺杂可控、物相单一、结晶良好的硅氮化物荧光粉体；结合理论计算和实验测试，分析、阐明了荧光粉体的多层次结构（显微结构、晶格结构、能带结构）与其发光性能的关联关系，实现了对硅氮化物系列荧光粉体的多层次结构调控与发光性能增强，提升了其应用性能，为推进先进照明及显示器件的商业应用提供了核心材料与技术支撑。