Quantitative prediction of photoluminescence quantum yields of phosphors from first principles.

Quantitative prediction of photoluminescence quantum yields of phosphors from first principles.
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DOI:
10.1039/c5sc03153b
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发表时间:
2016-02-01
期刊:
影响因子:
8.4
通讯作者:
Escudero D
Escudero D
中科院分区:
化学1区
文献类型:
--
作者:
Escudero D

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首次对一系列蓝绿 Ir(iii) 配合物的光致发光量子产率 (PLQY) 进行定量预测。优化 Ir(iii) 配合物的光致发光量子产率是其作为有机发光二极管 (OLED) 荧光粉应用的关键。这项工作首次证明了一系列蓝绿 Ir(iii) 配合物中光致发光量子产率 (PLQY) 的定量预测可以完全从电子结构计算中得出。
The first quantitative prediction of the photoluminescence quantum yields (PLQY) of a series of blue-to-green Ir(iii) complexes is presented. Optimizing the photoluminescence quantum yields of Ir(iii) complexes is the key to their application as phosphors in organic light-emitting diodes (OLEDs). This work demonstrates for the first time that quantitative predictions of photoluminescence quantum yields (PLQY) in a series of blue-to-green Ir(iii) complexes can be derived exclusively from electronic structure calculations.
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