Theoretical Studies on Optical and Electronic Properties of Dithienosilole (DTS) and its Derivatives
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.