Structural, Electronic and Optical properties of (P3HT)n in context of Organic Solar Cells: DFT Based Approach

Abstract

With increase in energy demand, major contribution is expected to be imparted from solar energy. Also it is renewable and provides a clean source of electricity. Organic photovoltaic (OPV) offer as a promising candidate of solar energy production having attractive features like environment friendly, cheap and light-weight. This also motivated the researchers to explore new materials to design more efficient organic solar cells through enhancement in structural and electronic properties. Poly(3hexylthiophene) (P3HT) is widely employed in field of organic electronics research, and is a representative member of material family of soluble organic semiconducting polymers.P3HT is used as a standard polymer for research in organic solar cells. In the proposed work, theoretical study is conducted to explore the structural, electronic and optical properties of P3HT polymer. The effect of the increasing the monomer units as side chain on the structural, electronic and optical properties of (P3HT)n polymer is also investigated based on DFT study.