Abstract
The modifications of α-fluorenyl oligothiophenes by adding carbazole and pyrene end-capped moieties have been carried out using density functional theory (DFT) and time-dependent DFT (TD-DFT) method. The ground state conformation, energy gap, absorption, and emission properties as well as the change of λabs when oligothiophenes were increased up to 4 units have been investigated. We have fine-tuned the energy level and emission color by adjusting the conjugation length of the thiophene units connected to fluorene moieties. The results are pointed out that the excitation energies obtained by TD-DFT were decreased when the conjugation length was extended which strongly correspond to experimental observations, OLED devices of these materials emitted brightly in various colors from deep blue to orange with good color qualities and luminance efficiencies.
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