| Publications [#315336] of David N. Beratan
Journal Articles
- 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 computation, vol. 12 no. 4
(April, 2016),
pp. 1942-1952, ISSN 1549-9618 [doi]
(last updated on 2024/04/24)
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.
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