期刊
INORGANIC CHEMISTRY
卷 57, 期 19, 页码 12106-12112出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.8b01675
关键词
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资金
- European Union's Horizon 2020 Research and Innovation Programme [700961]
- Marie Curie Actions (MSCA) [700961] Funding Source: Marie Curie Actions (MSCA)
The use of tris(bidentate) Ir(III) complexes as light active components in phosphorescent organic light-emitting diodes (PhOLEDs) is currently the state-of-the-art technology to attain long-lasting and highly performing devices. Still, further improvements of their operational lifetimes are required for their practical use in lighting and displays. Facial/meridional stereoisomerism of the tris(bidentate) Ir(III) architectures strongly influences their emissive properties and thereto their PhOLEDs performances and operational device stabilities. This work underpins at, the first-principles level the different excited state reactivities of facial and meridional stereoisomers of a series of tris(bidentate) Ir(III) complexes, which is found to originate in the presence of distinct triplet metal centered ((MC)-M-3) deactivation pathways. These deactivation pathways are herein presented for the first time for the meridional isomers. Finally, we propose some phosphor design strategies.
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