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Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1–xMgx)(Al1–xSi1+x)O7:Eu2+Phosphor
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2015-09-25 , DOI: 10.1021/jacs.5b08315
Zhiguo Xia 1, 2 , Chonggeng Ma 3 , Maxim S. Molokeev 4, 5 , Quanlin Liu 1 , Karl Rickert 2 , Kenneth R. Poeppelmeier 2
Affiliation  

The union of structural and spectroscopic modeling can accelerate the discovery and improvement of phosphor materials if guided by an appropriate principle. Herein, we describe the concept of "chemical unit cosubstitution" as one such potential design scheme. We corroborate this strategy experimentally and computationally by applying it to the Ca2(Al(1-x)Mg(x))(Al(1-x)Si(1+x))O7:Eu(2+) solid solution phosphor. The cosubstitution is shown to be restricted to tetrahedral sites, which enables the tuning of luminescent properties. The emission peaks shift from 513 to 538 nm with a decreasing Stokes shift, which has been simulated by a crystal-field model. The correlation between the 5d crystal-field splitting of Eu(2+) ions and the local geometry structure of the substituted sites is also revealed. Moreover, an energy decrease of the electron-phonon coupling effect is explained on the basis of the configurational coordinate model.

中文翻译:

Ca2(Al1–xMgx)(Al1–xSi1+x)O7:Eu2+Phosphor 中的化学单元共取代和光致发光调节

如果遵循适当的原则,结构和光谱建模的结合可以加速荧光粉材料的发现和改进。在这里,我们将“化学单元共取代”的概念描述为这样一种潜在的设计方案。我们通过将其应用于 Ca2(Al(1-x)Mg(x))(Al(1-x)Si(1+x))O7:Eu(2+) 固溶体磷光体,在实验和计算上证实了这一策略。显示共取代仅限于四面体位点,这可以调整发光特性。发射峰从 513 nm 移至 538 nm,斯托克斯位移减小,这已由晶体场模型模拟。还揭示了 Eu(2+) 离子的 5d 晶体场分裂与取代位点的局部几何结构之间的相关性。而且,
更新日期:2015-09-25
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