Computational Design of Efficient Thermally Activated Delayed Fluorescence Emitters Based on Carbazole and Phenoxazine Donor Groups.

Abstract

Thermally activated delayed fluorescence (TADF) emitters, which efficiently use singlet and triplet excitons without noble metals, are the focus of our research. We study Carbazole and Phenoxazine donors paired with Anthraquinone and Xanthone acceptors, optimizing dihedral angles to minimize repulsion and separate HOMO and LUMO on donor and acceptor units.