title: Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.
abstract: Organic light-emitting diodes (OLEDs) have wide-ranging applications, from lighting to device displays. However, the repertoire of organic molecules with efficient blue emission is limited. To address this limitation, we have developed a strategy to design property-optimized, diversity-oriented libraries of structures with favorable fluorescence properties. This approach identifies novel diverse candidate organic molecules for blue emission with strong oscillator strengths and low singlet-triplet energy gaps that favor thermally activated delayed fluorescence (TADF) emission.
authors.affiliation: Program in Computational Biology and Bioinformatics, Duke University , Durham, North Carolina 27708, United States.
authors.forename: Chetan
authors.initials: C
authors.lastname: Rupakheti
authors.affiliation: Department of Chemistry, Duke University , Durham, North Carolina 27708, United States.
authors.forename: Rachael
authors.initials: R
authors.lastname: Al-Saadon
authors.affiliation: Department of Chemistry, Duke University , Durham, North Carolina 27708, United States.
authors.forename: Yuqi
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Department of Chemistry, Duke University , Durham, North Carolina 27708, United States.
authors.forename: Aaron M
authors.initials: AM
authors.lastname: Virshup
authors.affiliation: Department of Chemistry, Duke University , Durham, North Carolina 27708, United States.
authors.forename: Peng
authors.initials: P
authors.lastname: Zhang
authors.affiliation: Department of Chemistry, Duke University , Durham, North Carolina 27708, United States.|Department of Physics, Duke University , Durham, North Carolina 27708, United States.
authors.forename: Weitao
authors.initials: W
authors.lastname: Yang
authors.affiliation: Department of Chemistry, Duke University , Durham, North Carolina 27708, United States.|Department of Physics, Duke University , Durham, North Carolina 27708, United States.|Department of Biochemistry, Duke University , Durham, North Carolina 27708, United States.
authors.forename: David N
authors.initials: DN
authors.lastname: Beratan