Benzofuropyridine-Based Highly Efficient Thermally Activated Delayed Fluorescence Emitters
- Authors
- Lee, Geon Hyeong; Kim, Young Sik
- Issue Date
- Sep-2018
- Publisher
- AMER SCIENTIFIC PUBLISHERS
- Keywords
- Density Functional Theory (DFT); Time-Dependent Density Functional Theory (TD-DFT); Organic Light-Emitting Diode (OLED); Thermally Activated Delayed Fluorescence
- Citation
- JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.18, no.9, pp.6635 - 6639
- Journal Title
- JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
- Volume
- 18
- Number
- 9
- Start Page
- 6635
- End Page
- 6639
- URI
- https://scholarworks.bwise.kr/hongik/handle/2020.sw.hongik/3255
- DOI
- 10.1166/jnn.2018.15709
- ISSN
- 1533-4880
- Abstract
- Novel thermally activated delayed fluorescence (TADF) materials with benzofuro[2,3-b] pyridine (BFPd) as an electron acceptor and carbazole derivatives [carbazole (Cz), 1,3,6,8-tetramethyl-9H-carbazole (tmCz), and 9'H-9,3': 6',9''-tercarbazole (terCz)] as electron donors are designed, and their electronic and optical properties are investigated theoretically for a deep blue organic light-emitting diode (OLED). We obtain the energies of the first singlet (S-1) and first triplet (T-1) excited states of TADF materials by performing density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations on the ground state by using the dependence on charge transfer amounts for the optimal Hartree-Fock percentage in the exchange-correlation of TD-DFT. We show that terCz-BFPd would be a suitable blue OLED emitter because it has sufficiently small Delta E-ST value (0.048 eV), which is favorable for a reverse intersystem crossing process from the T-1 to S-1 states and an emission wavelength of 432.8 nm with sufficiently large oscillator strength (F) value.
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