Extracting Electrons from Delocalized Excitons by Flattening the Energetic Pathway for Charge Separation

At organic donor-acceptor (D-A) interfaces, electron and hole are bound together to form charge transfer (CT) excitons. The electron and hole wave functions in these CT excitons can spatially delocalize. The electron delocalization opens up possibilities of extracting free charges from bound excitons by manipulating the potential energy landscape on the nanoscale. Using a prototype trilayer structure that has a cascade band structure, we show that the yield of charge separation can be doubled as compared to the bilayer counterpart when the thickness of the intermediate layer is around 3 nm. This thickness coincides with the electron delocalization size of CT excitons typically found in these organic films. Tight-binding calculation for the CT states in the trilayer structure further demonstrates that electron delocalization, together with the energy level cascade, can effectively flatten the energetic pathway for charge separation. Hence, it is possible to add nanometer-thick layers between the donor and the acceptor to significantly enhance the charge separation yield.