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基于第一性原理的荧光粉光致发光量子产率的定量预测。

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

作者信息

Escudero D

机构信息

Chimie Et Interdisciplinarité , Synthèse , Analyse , Modélisation (CEISAM) , UMR CNRS no. 6320 , BP 92208 , Université de Nantes , 2, Rue de la Houssinière , 44322 Nantes Cedex 3 , France . Email:

出版信息

Chem Sci. 2016 Feb 1;7(2):1262-1267. doi: 10.1039/c5sc03153b. Epub 2015 Nov 12.

DOI:10.1039/c5sc03153b
PMID:29910882
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5975840/
Abstract

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.

摘要

优化铱（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）中的磷光体应用的关键。这项工作首次证明，一系列蓝绿色铱（III）配合物的光致发光量子产率（PLQY）的定量预测可以完全从电子结构计算中得出。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/c109956f2261/c5sc03153b-c2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/2d6e365961d1/c5sc03153b-c1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/3fe00f46e0d1/c5sc03153b-s1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/ad478b2ea352/c5sc03153b-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/c109956f2261/c5sc03153b-c2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/2d6e365961d1/c5sc03153b-c1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/3fe00f46e0d1/c5sc03153b-s1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/ad478b2ea352/c5sc03153b-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5034/5975840/c109956f2261/c5sc03153b-c2.jpg

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