1. Design of efficient non-doped blue emitters: toward the improvement of charge transport
- Author
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Sunwoo Kang, Tae-Kyung Kim, Jin Yong Lee, and Jong Hun Moon
- Subjects
Range (particle radiation) ,Materials science ,General Chemical Engineering ,Relaxation (NMR) ,02 engineering and technology ,General Chemistry ,Electron ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Triphenylamine ,01 natural sciences ,Molecular physics ,Molecular electronic transition ,0104 chemical sciences ,law.invention ,chemistry.chemical_compound ,chemistry ,law ,OLED ,Density functional theory ,0210 nano-technology ,Light-emitting diode - Abstract
Charge transport and electronic transition properties of a series of newly designed anthracene-based non-doped blue emitters were investigated by density functional theory calculations. For a highly efficient non-doped device, Cz3PhAn-based emitters were designed to suppress the hole and electron reorganization energies required for structural relaxation with respect to the changes of charged states. As a result, the hole hopping rates of triphenylamine (TPA) and phenylbenzimidazole (PBI) substituted Cz3PhAn derivatives (1, 4, and 5–7) were tremendously enhanced as compared to that of Cz3PhAn due to the suppression of the reorganization energy of holes, λh. Moreover, 1 and 4 emitters showed almost identical hopping rates of holes and electrons, which can possibly lead to a perfect charge balance and high efficiency. The photo-physical properties showed that the emission energy of all 1–10 emitters is in 439–473 nm range. It is expected that our rational design strategy can help develop non-doped blue fluorescent emitters for high efficiency.
- Published
- 2019