A rate equation model for the energy transfer mechanism of a novel multi-color-emissive phosphor, Ca1.624Sr0.376Si5O3N6:Eu2+†,Inorganic Chemistry Frontiers

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A rate equation model for the energy transfer mechanism of a novel multi-color-emissive phosphor, Ca1.624Sr0.376Si5O3N6:Eu2+†
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2019-10-02 , DOI: 10.1039/c9qi01002e
Jin Hee Lee _{1,

2,

3,

4} , Satendra Pal Singh _{1,

2,

3,

4} , Minseuk Kim _{1,

2,

3,

4} , Myoungho Pyo _{4,

5,

6,

7} , Woon Bae Park _{1,

2,

3,

4} , Kee-Sun Sohn _{1,

2,

3,

4}

Affiliation

Multi-color emissions (or broadband emissions) from a single-phase phosphor with a single activator are an unfamiliar idea compared with those from multi-color-center materials. A single activator that is located in different crystallographic sites of a single-phase phosphor, however, could lead to multimodal emission peaks for multi-color (or broadband) emissions. The discovery of a single-phase-single-activator-broadband-phosphor is rare, and it is regarded as difficult to accomplish. The present investigation introduces a novel single-phase-single-activator-broadband-phosphor (Ca_1.624Sr_0.376Si₅O₃N₆:Eu²⁺) and provides an in-depth examination of the energy transfer between different crystallographic sites which is the governing mechanism for the broadband emissions. Structural analysis is backed up by density functional theory (DFT) calculations, which validate the structural model of the discovered novel phosphor. Rate-equation modeling is introduced based on particle swarm optimization (PSO) to provide a complete quantitative analysis for the mechanism of the energy transfer.

中文翻译：

新型多色发射磷光体Ca _1.624 Sr _0.376 Si ₅ O ₃ N ₆：Eu 2 ⁺†的能量转移机理的速率方程模型

与来自多色心材料的材料相比，具有单个活化剂的单相磷光体的多色发射（或宽带发射）是一个陌生的想法。但是，位于单相磷光体不同晶体学位置的单个活化剂可能导致多色（或宽带）发射的多峰发射峰。单相单活化剂宽带磷光体的发现是罕见的，并且被认为难以实现。本研究介绍了一种新型的单相单活化剂宽带磷光剂（Ca _1.624 Sr _0.376 Si ₅ O ₃ N ₆：Eu ²⁺），并深入研究了不同晶体学站点之间的能量转移，这是宽带发射的控制机制。结构分析得到密度泛函理论（DFT）计算的支持，该算法验证了发现的新型磷光体的结构模型。引入了基于粒子群优化（PSO）的速率方程模型，以提供对能量传递机理的完整定量分析。

更新日期：2019-12-31

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