Skip to Main Content
Your organization might have access to this article on the publisher's site. To check, click on this link:http://dx.doi.org/+10.1063/1.4767291
Monte Carlo (MC) simulations have been used to fully model organic solar cells. The quantum efficiency and short-circuit current of these virtual devices are in excellent agreement with experimental measurements. Simulations show that, contrary to expectation, indium tin oxide/poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate)/poly(3-hexylthiophene):[6,6]-phenyl-C61-butyric acid methylester (PCBM)/aluminium devices lack effective charge blocking layers at the electrode interfaces. X-ray photoelectron spectroscopy depth profiling shows that despite a PCBM-rich region near the cathode, interface intermixing at the electrodes combined with incomplete PCBM coverage leads to significant interface recombination. This work highlights the effectiveness of MC simulations as a predictive tool and emphasizes the need to control electrode interface processes.