Vol. 4, Issue 1, Part A (2022)

The identification and characterization of π-conjugated conducting polymers have had a significant influence on the field of organic electronics. These polymers' ability to switch between conducting and semiconducting states, as well as their ability to change mechanical properties through chemical modification, controlled doping, and stacking or composite creation with other materials, make them highly promising for integration into future optical and electronic devices. Polythiophene and its variants are π-conjugated polymers that have been examined extensively. They are being explored both computationally and experimentally for their potential application in electrical devices, including light-emitting diodes, water purification devices, hydrogen storage, and biosensors. Numerous theoretical modelling studies of polythiophene have been conducted to investigate a range of electrical and structural aspects of these polymers. These studies range from an oligothiophene approach to infinite chain lengths (periodic boundary conditions). We go over the most recent developments in our understanding of pure polythiophene and its derivatives in this review, including everything from basic viewpoints to device applications.