Nature Communications · 2020 · 174 citations · 60 references
Natural SciencesMaterials SciencePhysicsElectronic MaterialsMaterials ChemistryPolymer ChemistryCarrier TransportCharge Carrier TransportConducting PolymersOrganic SemiconductorsPhotovoltaic MaterialsSolar CellsCharge Carrier DynamicsCharge Transfer KineticsElectronic CouplingExciton DiffusionInterfacial Charge TransferInterfacial Electron TransferMarcus TheoryMarcus Theory In Electrochemistry
Organic photovoltaics based on non-fullerene acceptors (NFAs) show record efficiency of 16 to 17% and increased photovoltage owing to the low driving force for interfacial charge-transfer. However, the low driving force potentially slows down charge generation, leading to a tradeoff between voltage and current. Here, we disentangle the intrinsic charge-transfer rates from morphology-dependent exciton diffusion for a series of polymer:NFA systems. Moreover, we establish the influence of the interfacial energetics on the electron and hole transfer rates separately. We demonstrate that charge-transfer timescales remain at a few hundred femtoseconds even at near-zero driving force, which is consistent with the rates predicted by Marcus theory in the normal region, at moderate electronic coupling and at low re-organization energy. Thus, in the design of highly efficient devices, the energy offset at the donor:acceptor interface can be minimized without jeopardizing the charge-transfer rate and without concerns about a current-voltage tradeoff.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Next-generation organic photovoltaics based on non-fullerene acceptors
Pei Cheng, Gang Li, Xiaowei Zhan et al. · Nature Photonics · 2018 · 1.9K citations