Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design
Ke Zhao, Ömer H. Omar, Tahereh Nematiaram, Daniele Padula, Alessandro Troisi
Abstract
125 potential TADF candidates are identified through quantum chemistry calculations of 700 molecules derived from a database of 40 000 molecular semiconductors. Most of them are new and some do not belong to the class of donor–acceptor molecules.
Topics & Concepts
AcceptorMaterials scienceMoleculeFluorescenceSemiconductorThroughputHigh-throughput screeningPhotochemistryNanotechnologyChemical physicsOptoelectronicsComputer scienceOrganic chemistryChemistryCondensed matter physicsOpticsPhysicsTelecommunicationsWirelessBiochemistryOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsOrganic Electronics and Photovoltaics