Factors Governing Intercalation of Fullerenes and Other Small Molecules Between the Side Chains of Semiconducting Polymers Used in Solar Cells

被引:98
作者
Miller, Nichole Cates [1 ]
Cho, Eunkyung [2 ,3 ,4 ]
Gysel, Roman [1 ]
Risko, Chad [2 ,3 ]
Coropceanu, Veaceslav [2 ,3 ]
Miller, Chad E. [1 ]
Sweetnam, Sean [1 ]
Sellinger, Alan [1 ]
Heeney, Martin [6 ]
McCulloch, Iain [6 ]
Bredas, Jean-Luc [2 ,3 ]
Toney, Michael F. [5 ]
McGehee, Michael D. [1 ]
机构
[1] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA
[2] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA
[3] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA
[4] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA
[5] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA
[6] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England
关键词
OPEN-CIRCUIT VOLTAGE; CHARGE-TRANSFER; ORGANIC PHOTOVOLTAICS; BIMOLECULAR CRYSTALS; PHASE-BEHAVIOR; MORPHOLOGY; PERFORMANCE; BLENDS; EFFICIENCY; DYNAMICS;
D O I
10.1002/aenm.201200392
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
While recent reports have established significant miscibility in polymer:fullerene blends used in organic solar cells, little is actually known about why polymers and fullerenes mix and how their mixing can be controlled. Here, X-ray diffraction (XRD), differential scanning calorimetry (DSC), and molecular simulations are used to study mixing in a variety of polymer:molecule blends by systematically varying the polymer and small-molecule properties. It is found that a variety of polymer:fullerene blends mix by forming bimolecular crystals provided there is sufficient space between the polymer side chains to accommodate a fullerene. Polymer:tetrafluoro-tetracyanoquinodimethane (F4-TCNQ) bimolecular crystals were also observed, although bimolecular crystals did not form in the other studied polymer:non-fullerene blends, including those with both conjugated and non-conjugated small molecules. DSC and molecular simulations demonstrate that strong polymerfullerene interactions can exist, and the calculations point to van der Waals interactions as a significant driving force for molecular mixing.
引用
收藏
页码:1208 / 1217
页数:10
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