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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America. >Closely packed, low reorganization energy pi-extended postfullerene acceptors for efficient polymer solar cells
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Closely packed, low reorganization energy pi-extended postfullerene acceptors for efficient polymer solar cells

机译：Closely packed, low reorganization energy pi-extended postfullerene acceptors for efficient polymer solar cells

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New organic semiconductors are essential for developing inexpensive, high-efficiency, solution-processable polymer solar cells (PSCs). PSC photoactive layers are typically fabricated by film-casting a donor polymer and a fullerene acceptor blend, with ensuing solvent evaporation and phase separation creating discrete conduits for photogenerated holes and electrons. Until recently, n-type fullerene acceptors dominated the PSC literature; however, indacenodithienothiophene (IDTT)-based acceptors have recently enabled remarkable PSC performance metrics, for reasons that are not entirely obvious. We report two isomeric IDTT-based acceptors 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-benz-(5,6)indanone))-5,5,11,11-tetrakis(4-nonylphenyl)-dithieno2,3-d:2',3'-d'-s-indaceno1,2-b:5,6-b'di-thiophene (ITN-C9) and 3,9-bis(2-methylene(3-(1,1-dicyanomethylene)-benz(6,7)indanone))-5,5,11,11-tetrakis(4-nonylphenyl)-dithieno2,3-d:2',3'-d'-s-indaceno1,2- b: 5,6-b' dithiophene (ITzN-C9) that shed light on the exceptional IDTT properties vis-a-vis fullerenes. The neat acceptors and blends with fluoropolymer donor poly{4,8-bis5-(2-ethylhexyl)-4-fluoro-2-thienylbenzo1,2b:4,5-b'dithiophene2,6-diyl-alt-2,5-thiophenediyl5,7-bis(2-ethylhexyl)4,8-dioxo4H,8H-benzo1,2-c:4,5-c'dithiophene-1,3-diyl} (PBDB-TF) are investigated by optical spectroscopy, cyclic voltammetry, thermogravimetric analysis, differential scanning calorimetry, single-crystal X-ray diffraction, photovoltaic response, space-charge-limited current transport, atomic force microscopy, grazing incidence wide-angle X-ray scattering, and density functional theory-level quantum chemical analysis. The data reveal that ITN-C9 and ITzN-C9 organize such that the lowest unoccupied molecular orbital-rich end groups have intermolecular pi-pi distances as close as 3.31(1) angstrom, with electronic coupling integrals as large as 38 meV, and internal reorganization energies as small as 0.133 eV, comparable to or superior

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