Publications [#315336] of David N. Beratan

Journal Articles

  1. Rupakheti, C; Al-Saadon, R; Zhang, Y; Virshup, AM; Zhang, P; Yang, W; Beratan, DN, "Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.", Journal of chemical theory and computationApril,, 2016, 12(4), 1942-1952 [doi].
    (last updated on 2025/04/16)

    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.