Electronic and Optical Properties of Oligothiophenes and Their Applications in Organic Electronics

Abstract

In this study, we focus on the electronic and optical properties of oligothiophenes, particularly bithiophene (2T), quaterthiophene (4T), and sexthiophene (6T). Using Density Functional Theory (DFT) and the Vienna Ab-initio Simulation Package (VASP), we analyzed the evolution of the electronic band gap as a function of the conjugated chain length. The results show a significant reduction in the band gap with the elongation of the chain, which influences the optical absorption properties, thereby paving the way for various applications in organic electronic devices, including transistors and solar cells.