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The evaluation of the power conversion efficiency (PCE) of new materials for organic bulk heterojunction (BHJ) photovoltaics is difficult due to the large number of processing parameters possible. An efficient procedure to determine the optimum conditions for thermal treatment of polymer-based bulk heterojunction photovoltaic devices using in situ current-voltage measurements is presented. The performance of a new fullerene derivative, 1,9-dihydro-64,65-dihexyloxy-1,9-(methano[1,2] benzomethano)fullerene[60], in BHJ photovolatics with poly(3-hexylthiophene) (P3HT) was evaluated using this methodology. The device characteristics of BHJs obtained from the in situ method were found to be in good agreement with those from BHJs annealed using a conventional process. This fullerene has similar performance to 1-(3-methoxycarbonyl)propyl-1-phenyl-[6,6]-methano fullerene in BHJs with P3HT after thermal annealing. For devices with thickness of 70 nm, the short circuit current was 6.24 mA/cm2 with a fill factor of 0.53 and open circuit voltage of 0.65 V. The changes in the current-voltage measurements during thermal annealing suggest that the ordering process in P3HT dominates the improvement in power conversion efficiency. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012

The improvement of the power conversion efficiency (PCE) of polymer bulk heterojunction (BHJ) solar cells has generally been achieved through synthetic design to control frontier molecular orbital energies and molecular ordering of the electron-donating polymer. An alternate approach to control the PCE of a BHJ is to tune the miscibility of the fullerene and a semiconducting polymer by varying the structure of the fullerene. The miscibility of a series of 1,4-fullerene adducts in the semiconducting polymer, poly(3-hexylselenophene), P3HS, was measured by dynamic secondary ion mass spectrometry using a model bilayer structure. The microstructure of the bilayer was investigated using high-angle annular dark-field scanning transmission microscopy and linked to the polymer-fullerene miscibility. Finally, P3HS:fullerene BHJ solar cells were fabricated from each fullerene derivative, enabling the correlation of the active layer microstructure to the charge collection efficiency and resulting PCE of each system. The volume fraction of polymer-rich, fullerene-rich, and polymer-fullerene mixed domains can be tuned using the miscibility leading to improvement in the charge collection efficiency and PCE in P3HS:fullerene BHJ solar cells. These results suggest a rational approach to the design of fullerenes for improved BHJ solar cells.

We have designed the synthesis of “deconvoluted fullerene” derivatives that present an ordered pattern of hexagons and pentagons in the backbone of the molecule. We not only mimicked the fullerene structure in dihedral planes, but also preserved its electron accepting behavior and enlarged its optical absorption. Moreover, very preliminary photoluminescence (PL) quenching experiments also confirmed the potentiality of these materials as acceptors in the field of organic photovoltaics (OPV)s. A brief discussion of the surface morphology, based on AFM analysis, is also presented.

Clicking thiols onto a core fluorous phthalocyanine (Pc) platform yields alkyl and fluoroalkyl derivatives. The Zn(II) Pc with 16 thioalkanes self-organizes with fullerene C60 into nearly monodispersed nanoparticles when cast on ITO surfaces. Particle size and surface density is controlled by varying the Pc/fullerene ratio and concentration. Fluorescence quenching indicates electronic interaction between the component molecules in the films of nanoparticles. The strong supramolecular interactions between the Pc with 8 or 16 fluorous alkanes inhibit incorporation of the fullerene.