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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机译：Ir（ III ）配合物的光致发光量子产率的优化是将其用作有机发光二极管（OLED）中的磷光体的关键。这项工作首次证明，只能从电子结构计算中得出一系列蓝绿色的Ir（ III ）配合物的光致发光量子产率（PLQY）的定量预测。
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