Effect of Donor-Acceptor Vertical Composition Profile on Performance of Organic Bulk Heterojunction Solar Cells

In organic bulk heterojunction solar cells (OSCs) donor-acceptor vertical composition profile is one of the crucial factors that affect power-conversion efficiency (PCE). In this simulation study, five different kinds of donor-acceptor vertical configurations, including sandwich type I and type II, charge transport favorable, charge transport unfavorable, and uniform vertical distribution, have been investigated for both regular and inverted OSC structures. OSCs with uniform and charge transport favorable vertical composition profiles demonstrate the highest efficiencies. High PCE from charge transport favorable configuration can be attributed to low recombination because of facilitated charge transport in active layer and collection at electrodes, while high PCE from uniform structure is due to sufficient interfaces for efficient exciton dissociation. OSCs with sandwich and charge transport unfavorable structures show much lower efficiencies. The physical mechanisms behind simulation results are explained based on energy band diagrams, dark current-voltage characteristics, and comparison of external quantum efficiency. In conclusion, experimental optimization of vertical composition profile should be directed to either uniform or charge transport favorable vertical configurations in order to achieve high-performance OSCs.