Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms
Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms
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通过氧氮硅酸盐磷光体中的阳离子取代来调节光致发光：DFT 计算、不同位点占据和发光机制
DOI：
10.1021/cm500844v
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发表时间：
2014-05-13
影响因子：
8.6
通讯作者：
Liu, Ru-Shi
中科院分区：
文献类型：
--
作者：
Li, Guogang;Lin, Chun Che;Liu, Ru-Shi
氧氮硅酸盐磷光体的发光性能的调节和优化对于白色发光二极管（WLED）应用是重要的。为了提高层状结构MSi_2O_2N_2：Eu（M = Sr，Ba）荧光粉的显色指数、相关色温和热稳定性，采用了阳离子取代的方法来调节其发光性能。然而，其潜在机制仍不清楚。本文采用固相反应法制备了一系列（Sr_（1-x）Ba_x）Si_2 O_2N_2：Eu（0 ≤ x ≤ 1）化合物，并对其发光特性进行了系统的研究。基于X射线衍射测量，（Sr 1-xBax）Si 2 O2 N2：Eu（0 ≤ x ≤ 1）的晶体结构名义上分为三个部分，即，相1（0 ≤ x ≤ 0.65）、相2（0.65 < x < 0.80）和相3（0.80 ≤ x ≤ 1）。这些实验结果进一步证实了优化的晶体结构数据与第一性原理计算。观察到从绿色到黄色的连续发光调节.
Tuning and optimizing luminescent properties of oxonitridosilicates phosphors are important for white light-emitting diode (WLED) applications. To improve the color rendering index, correlated color temperature and thermal stability of layer-structured MSi2O2N2:Eu (M = Sr, Ba) phosphors, cation substitutions have been used to adjust their luminescent properties. However, the underlying mechanisms are still unclear. In this research, a series of (Sr1–xBax)Si2O2N2:Eu (0 ≤ x ≤ 1) compounds were prepared by solid-state reaction, after which systematic emission variations were investigated. The crystal structures of (Sr1–xBax)Si2O2N2:Eu (0 ≤ x ≤ 1) are nominally divided into three sections, namely, Phase 1 (0 ≤ x ≤ 0.65), Phase 2 (0.65 < x < 0.80), and Phase 3 (0.80 ≤ x ≤ 1) based on the X-ray diffraction measurements. These experimental results are further confirmed by optimizing the crystal structure data with first-principle calculations. Continuous luminescence adjustments from green to yellow are observed...