Novel semi-analytical optoelectronic modeling based on homogenization theory for realistic plasmonic polymer solar cells

Numerical-based simulations of plasmonic polymer solar cells (PSCs) incorporating a disordered array of non-uniform sized plasmonic nanoparticles (NPs) impose a prohibitively long-time and complex computational demand. To surmount this limitation, we present a novel semi-analytical modeling, which dramatically reduces computational time and resource consumption and yet is acceptably accurate. For this purpose, the optical modeling of active layer-incorporated plasmonic metal NPs, which is described by a homogenization theory based on a modified Maxwell–Garnett-Mie theory, is inputted in the electrical modeling based on the coupled equations of Poisson, continuity, and drift–diffusion. Besides, our modeling considers the effects of absorption in the non-active layers, interference induced by electrodes, and scattered light escaping from the PSC. The modeling results satisfactorily reproduce a series of experimental data for photovoltaic parameters of plasmonic PSCs, demonstrating the validity of our modeling approach. According to this, we implement the semi-analytical modeling to propose a new high-efficiency plasmonic PSC based on the PM6:Y6 PSC, having the highest reported power conversion efficiency (PCE) to date. The results show that the incorporation of plasmonic NPs into PM6:Y6 active layer leads to the PCE over 18%.