Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes
| Autor: | Aaron M. Virshup, Yuqi Zhang, David N. Beratan, Peng Zhang, Weitao Yang, Chetan Rupakheti, Rachael Al-Saadon |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Materials science
business.industry Nanotechnology 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Fluorescence Blue emission 0104 chemical sciences Computer Science Applications Organic molecules OLED Optoelectronics Physical and Theoretical Chemistry 0210 nano-technology business Diode |
| Zdroj: | Journal of chemical theory and computation. 12(4) |
| ISSN: | 1549-9626 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|