钨酸钇基LED白色荧光粉的结构调控与性能优化

项目名称： 钨酸钇基LED白色荧光粉的结构调控与性能优化

项目编号： No.91222110

项目类型： 重大研究计划

立项/批准年度： 2013

项目学科： 无机非金属材料学科

项目作者： 张俊英

作者单位： 北京航空航天大学

项目金额： 70万元

中文摘要： 单基质长波紫外光激发的白光LED荧光粉相对于多基质和短波紫外光激发的荧光粉具有明显的发展潜力。本项目以单斜晶系Y2WO6为基质，拟通过元素掺杂调节晶体场、激活剂，同时实现基质和激活剂的发光，探索同一基质内实现白色发光的可能性。以第一性原理计算设计材料的组分、晶体结构和电子结构，并进行激发态电子结构计算获得理论的发光性能，阐释单斜晶系Y2WO6的结构与性能的关系。以理论计算结果作为指导，通过优化制备工艺，获得具有优良综合性能的发光材料。进行光催化与发光性能的关系研究，以深入理解光生电子的转移过程。本研究的顺利实施，可以从理论和实验上给出钨酸钇基单一基质内实现长波紫外LED激发的白色发光的依据，为白光LED的发展做出重要贡献。本项目具有坚实的研究基础和充分的前期预研及明显的交叉学科性质，能保证研究方案的顺利实施。

中文关键词： 单斜钨酸钇；结构调控；白色发光；第一性原理计算；点缺陷

英文摘要： Single-phased white-emitting phosphors excited by long wavelength ultraviolet LED have obvious development potential in comparison with those excited by short wavelength ultraviolet LED and multi-phased phosphors. In this project, the possibility of realizing white emission in single-phased monoclinic Y2WO6 will be investigated, through obtaining the emissions both from Y2WO6 matrix and other activators by manipulating the crystal field and the luminescent centers with dopants. By using first-principles calculation, the composition, crystal and electronic structures will be designed, and the electronic structure of the excited sate will also be studied to acquire the theoretical luminescent properties, exploiting the relationship between structures and properties of monoclinic Y2WO6 . Based on the theoretical calculation, we hope to obtain phosphors with high performance by optimizing preparing methods. Relationship between luminescent and photocatalytic properties will be studied to intensively investigate the transfer process of the photo-generated electrons. The successful implement of this project will supply useful information from theoretical and experimental viewpoints on whether the Y2WO6 will be a good matrix for single- phased white-emitting phosphors excited by long wavelength ultraviolet LED chips. W

英文关键词： monoclinic Y2WO6；structure manipulation；white light emission；first-principles calculation；point-defects