Regulation of heteroatom positioning in multiple resonance thermally activated delayed fluorescence materials: performance optimization for blue/red emission
Lifang Yin, Yi Zhao, Qiang Gao, Yajun Yin, Tengfei He, Yufei Yang, Ai-Min Ren, Tongshun Wu, Hui Li, Luyi Zou
Abstract
Strategically incorporating Se into B/N-heteropolycyclic frameworks is key to modulating multiple resonance (MR) systems and developing high-performance TADF materials.
Topics & Concepts
HeteroatomIntersystem crossingChemical physicsDensity functional theoryMoleculeMolecular orbitalAtomic orbitalResonance (particle physics)ChemistryMaterials scienceMolecular physicsOrbital overlapCoupling (piping)Computational chemistryWork (physics)FluorescenceBand gapCharge (physics)Electron transferElectronFörster resonance energy transferNanotechnologySmall moleculeAtomic physicsRedistribution (election)Ab initioRadiative transferHOMO/LUMOPhotochemistryAtomic electron transitionCluster (spacecraft)Electron densityLuminescence and Fluorescent MaterialsOrganic Light-Emitting Diodes ResearchMagnetism in coordination complexes