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Theoretical Studies on Optical and Electronic Properties of Dithienosilole (DTS) and its Derivatives
  • Hue Minh Thi Nguyen
Hue Minh Thi Nguyen
Hanoi National University of Education
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Abstract

Optical and electronic properties of serial synthetic organic semiconductors dithienosilole derivatives (DTS) have theoretically been studied using density functional theory (DFT) and time dependent-DFT (TD-DFT) methods. Our results also suggest that symmetric dimeric DTS compounds, especially with modifications at 1,1’-positions, lead to lower optical band gap energy and could be used as an electron transport layer in OLED materials.