In all-polymer solar cells, high performance is attributed to the fine-grained morphology of the film in the active layer. However, the mechanism by which this fine-grained morphology is achieved remains unknown. Polymeric non-fullerene acceptors have the potential to restrict the self-aggregation, typical of non-fullerene small molecule acceptors. Here we employed a blend of the polymeric acceptor PF5-Y5 and the donor polymer PBDB-T to investigate the balance between molecular interactions in solution. Temperature-dependent absorption spectra show evidence of temperature-induced disaggregation of both donor and acceptor polymers, where the donor polymer disaggregation depends on the solvent polarity. Concentration-dependent fluorescence spectra of blend solutions display blue-shifted acceptor emission upon dilution, similar to that observed in acceptor solutions, and a decreased tendency for charge transfer from donor to acceptor upon dilution. Excitation spectra of dilute blend solutions contain an increased contribution to the long-wavelength acceptor emission, as compared to pure acceptor solutions, from a chromophore that absorbs in a region where the donor does not absorb. These observations can be explained by donor-acceptor complexation in dilute blend solutions, that is stabilized in more polar solvents. Moreover, the near IR-region of the absorption spectrum could be matched with the calculated electronic excitations of donor-acceptor complexes of PBDB-T and PF5-Y5 oligomers. The results corroborate that the interaction between segments of the donor and acceptor polymer chains favours the formation of donor-acceptor charge transfer complexes, stabilized by hybridization of the molecular orbitals, which reduces the electronic energy. The proposed donor-acceptor complex formation competes with the donor and acceptor self-aggregation and is influenced by the solvent environment. These pre-formed donor-acceptor complexes in low-concentration solutions can be expected to have important consequences on the film morphology of all-polymer blends. The results from this joint experimental-theoretical spectroscopy study provide insights that can guide the design of compatible donor and acceptor polymers for future high-performance organic solar cells.

To facilitate industrial applications, as well as for environmental and health purposes, there is a need to find less hazardous solvents for processing the photoactive layer of organic solar cells. As there are vast amounts of possibilities to combine organic solvents and solutes, it is of high importance to find paths to discriminate among the solution chemistry possibilities on a theoretical basis. Using Hansen solubility parameters (HSP) offers such a path. We report on some examples of solvent blends that have been found by modelling HSP for an electron donor polymer (TQ1) and an electron acceptor polymer (N2200) to match solvent blends of less hazardous solvents than those commonly used. After the theoretical screening procedure, solubility tests were performed to determine the HSP parameters relevant for the TQ1:N2200 pair in the calculated solvent blends. Finally, thin solid films were prepared by spin-coating from the solvent blends that turned out to be good solvents to the donor-acceptor pair. Our results show that the blend film morphology prepared in this way is similar to those obtained from chloroform solutions.

We report the design and testing of a custom-built experimental setup for dip-coating from volatile solutions under microgravity conditionsonboard an aircraft. Function and safety considerations for the equipment are described. The equipment proved to work well, both concerningthe safety and the preparation of thin films. No leakage of the solvents, nor the solvent vapors, was detected, not even in a situation with afluctuating gravitational field due to bad weather conditions. We have shown that the equipment can be used to prepare thin films of polymerblends, relevant for organic solar cells, from solution in a feasible procedure under microgravity conditions. The prepared films are similar tothe corresponding films prepared under 1 g conditions, but with differences that can be related to the absence of a gravitational field duringdrying of the applied liquid coating. We report on some introductory results from the characterization of the thin films that show differencesin film morphology and structure sizes.