真空合成稀土硫氧化物发光材料机理研究

项目名称： 真空合成稀土硫氧化物发光材料机理研究

项目编号： No.51504120

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 矿业工程

项目作者： 王飞

作者单位： 昆明理工大学

项目金额： 20万元

中文摘要： 稀土硫氧化物在照明、显示、光学存储等领域具有广泛应用而成为研究热点。本项目提出真空低温固相反应制备该材料的技术思路，以解决传统的高温固相反应合成温度高、产物颗粒尺寸大等问题，重点研究原料混合物在真空下固相反应历程，阐明该反应过程的真空合成机理；研究真空度等影响因素对材料的晶体结构、晶体生长及其发光性能的影响，确定适宜的真空焙烧制度及晶粒细化机理；研究真空下杂质原子对晶体生长的作用机制及杂相形成机理，探讨杂质微扰及晶格畸变对发光性能的调控机制，得到粒径尺寸与晶体内部微观结构对发光性能的调控及增强效应的影响规律；对不同稀土离子激活的硫氧化钆的几何结构、电子结构及光谱性质进行第一性原理计算，在原子水平上考察杂质原子在基质中的能量传递机制，从理论上证实真空对晶体生长过程的作用机理以及由此导致的发光机理变化。研究结果将充实稀土发光材料的制备及理论基础，对发光材料的结构和性能优化与具有重要的理论意义。

中文关键词： 真空；合成机理；微观结构；发光性质

英文摘要： Owing to their wide potential applications in such fields as lighting, displays and optical storage, the preparation of rare earth oxysulfide phosphor has been studied extensively. Aiming to solve the problems such as high synthesis temperature and large particle size, etc. in traditional solid state reaction method, the scheme of low-temperature solid state reaction in vacuum for the preparation of rare earth sulfide phosphors is proposed in this project. The inhibition of sulfur volatilization is commenced and the reaction process in vacuum is studied to elucidate the vacuum synthesis mechanism. Influence of various factors such as vacuum degree on crystal structure, crystal growth and luminescence properties of the phosphor is studied in order that the vacuum firing schedule is determined and the grain refining mechanisms under vacuum is also explored. The effect of impurities on crystal growth and the formation mechanisms of impurity phase are investigated. The influence of impurity disturbance and lattice distortion on luminescence properties is discussed. Therefore, the behavior of crystal particle size and micro-structure change on regulation and enhancement of luminescence is explored. Geometry, electronic structure and spectroscopic properties of rare earth ions activated gadolinium oxysulfide are simulated through first principles calculation to clarify the energy transfer mechanisms of impurity atoms in host at atomic level. Consequently, the effect of vacuum on the process of crystal growth and the change of luminescence mechanisms arising therefrom is confirmed in theory. The investigations could enrich the preparation method and theoretical basis of rare earth luminescent materials. Meanwhile, this project may also provide theoretical significance and practical values of the structural and performance optimization.

英文关键词： vacuum;synthesis mechanism;micro-structure;luminescence property