Electrical and optical modeling of poly(3-hexylthiophene):[6,6]-phenyl-C61 butyric acid methyl ester P3HT–PCBM bulk heterojunction solar cells

Abstract

In this work, we investigate a two-dimensional theoretical model for the photon conversion through an integration of the optical and electrical part of multilayer system in a bulk heterojunction solar cell based on poly(3-hexylthiophene) (P3HT)/6,6-phenyl C61-butyric acid methyl ester (PCBM) blend. The optical properties of the studied structure ITO/PEDOT:PSS/P3HT:PCBM/Ca/Al, such as the exciton generation rate and the electrical field distribution, are predicted at vicinity of the active layer and have been used to solve Poisson and continuity, drift–diffusion equations of the electrical model which characterize the electrical behavior of semiconductor device using finite element method (FEM). The electrical parameters such as power conversion efficiency (PCE), open voltage circuit (V oc), short-circuit current density (J sc) and fill factor (FF) are extracted from the current–voltage (J–V) characteristics under illumination and in dark conditions. Highest external quantum efficiency (IPCE), up to 60%, is obtained around 520 nm, while a power conversion efficiency (PCE) value of 3.62% is found to be in good agreement with the literature results. Integration of such theoretical approach into technological applications dealing with optoelectrical material performance will rapidly provide to the user accurate data outputs required for efficient validation of proof-of-concepts.