Theoretical and numerical investigation of charge carrier dynamics in a P3HT: PCBM-based organic solar cell incorporating gold nanoparticles

Nanoparticle (NP)-based organic solar cells have the ability to stimulate localized surface plasmon resonance (LSPR) and far-field scattering mechanisms, which potentially leads to an improvement in power conversion efficiency (PCE). In the current investigation, we primarily utilized the Semiconducting Thin Film Optics Simulation (SETFOS) environment to investigate the efficient functioning of an organic solar cell doped with gold (Au) NPs and compared it to an undoped reference cell. It was shown that by inserting the Au NPs in the polymer-based active layer, poly (3-hexylthiophene): [6, 6]-phenyl-butyric acid methyl ester (P3HT: PCBM), the absorption, external quantum efficiency (EQE), and exciton generation rate were significantly enhanced in the bulk heterojunction organic solar cell. Comparing the doped device to the undoped reference device, the short-circuit current density ( J SC ) was determined to have risen from –9.79 to –16.09 mA/cm 2 , resulting in an overall improvement in power conversion efficiency from 5% to 8.7%. Additionally, incorporating Au NPs results in a 1.7-fold increase in the exciton generation rate and it was determined by impedance spectroscopy that the total resistance of the device dropped by 24.2%.