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Jianhua Liu, Bright Walker, Arnold Tamayo, Yuan Zhang and Thuc-Quyen Nguyen Structure–Property Relationships: Effects of Heteroatom Substitutions on the Crystal Structure, Film Formation, and Optoelectronic Properties of Diketopyrrolopyrrole-Based Materials (Adv. Funct. Mater. 1/2013) Advanced Functional Materials 23

Version of Record online: 2 JAN 2013 | DOI: 10.1002/adfm.201370002

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Heteroatom substitutions in the end-groups of three diketopyrrolopyrrole-containing small molecules are investigated to evaluate how such substitutions affect physical properties, charge transport, and the performance in bulk heterojunction solar cells. As reported by Thuc-Quyen Nguyen and co-workers on page 47, the single-crystal structures of three compounds reveal the differences in material properties arise from changes in intra- and intermolecular interactions in the solid state, which are caused by heteroatom substitutions. This study demonstrates a systematic investigation of structure-property relationships in conjugated small molecules.

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