Organic photovoltaic (OPV) cells are an interesting technology with a wide development potentiality thanks to the possibility of chemically tuning the materials with ease. Moreover, the fabrication is far simpler than the one for conventional inorganic semiconductor solar cells [1-2]. Despite that, the light-to-current conversion of the device is rather complex being the interplay among many different processes and it is dominated by interfaces. Indeed interfaces are ubiquitous inside an OPV cell, due to the need of efficiently splitting photogenerated excitons. Similarly important are the contact interfaces, fundamental for an efficient charge collection and in determining the open circuit voltage. Investigating such problems from a theoretical point of view is quite challenging. The standard simulation method is based on drift-diffusion within the so called #effective##medium# approximation [3-4], where the complexity of the morphology is approximated by a single homogeneous material with mixed properties derived from the hole and electron transport material parameters. Recently a large effort has been devoted to overcome this limitation using kinetic monte carlo (kMC) methods which allows to include the effective morphology in the simulation [5-7]. The main limitation in kMC simulations is the computational cost that in many cases does not permit to simulate the entire system. We present a critical discussion comparing the effects of interfaces in drift-diffusion and kMC approaches within OPV, where the entire active layer is included in the simulation [8]. In particular we investigate the effect of different contact workfunctions for charge collection and the impact to the overall device performance.     «

Organic photovoltaic (OPV) cells are an interesting technology with a wide development potentiality thanks to the possibility of chemically tuning the materials with ease. Moreover, the fabrication is far simpler than the one for conventional inorganic semiconductor solar cells [1-2]. Despite that, the light-to-current conversion of the device is rather complex being the interplay among many different processes and it is dominated by interfaces. Indeed interfaces are ubiquitous inside an OPV cel...     »