AUTHOR=Lin Kun-Han , Wetzelaer Gert-Jan A. H. , Blom Paul W. M. , Andrienko Denis 

TITLE=Virtual Screening of TADF Emitters for Single-Layer OLEDs

JOURNAL=Frontiers in Chemistry

VOLUME=9

YEAR=2021

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2021.800027

DOI=10.3389/fchem.2021.800027

ISSN=2296-2646

ABSTRACT=<p>Thermally-activated delayed fluorescence (TADF) is a concept which helps to harvest triplet excitations, boosting the efficiency of an organic light-emitting diode. TADF can be observed in molecules with spatially separated donor and acceptor groups with a reduced triplet-singlet energy level splitting. TADF materials with balanced electron and hole transport are attractive for realizing efficient single-layer organic light emitting diodes, greatly simplifying their manufacturing and improving their stability. Our goal here is to computationally screen such materials and provide a comprehensive database of compounds with a range of emission wavelengths, ionization energies, and electron affinities.</p>