Characterization of electronic structure of aluminum (III) bis(2-methyl-8-quninolinato)-4-phenylphenolate (BAlq) for phosphorescent organic light emitting devices

Ta Ya Chu*, Yao Shan Wu, Jenn-Fang Chen, Chin H. Chen

*Corresponding author for this work

研究成果: Article同行評審

30 引文 斯高帕斯(Scopus)

摘要

The structure of the triplet host material, aluminum (III) bis(2-methyl-8-quninolinato)-4-phenylphenolate (BAlq), has been optimized by density functional theory (DFT) with B3LYP methods to study the electronic distribution of its HOMO and LUMO energy states. Calculated triplet bandgap energy of BAlq is shown to be consistent with the experimental data. By analyzing the partial density states (PDOS) of these ligands contributing to the total density of states (TDOS), it is concluded that the HOMO and LUMO orbitals of BAlq are mainly localized on the 4-phenylphenol and 2-methyl-8- hydroxyquinoline ligands, respectively.

原文English
頁(從 - 到)121-125
頁數5
期刊Chemical Physics Letters
404
發行號1-3
DOIs
出版狀態Published - 7 三月 2005

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