Document Detail

Bithiopheneimide-Dithienosilole/Dithienogermole Copolymers for Efficient Solar Cells: Information from Structure-Property-Device Performance Correlations and Comparison to Thieno[3,4-c]pyrrole-4,6-dione Analogues.
MedLine Citation:
PMID:  23030837     Owner:  NLM     Status:  Publisher    
Abstract. Rational creation of polymeric semiconductors from novel building blocks is critical to the polymer solar cell (PSC) development. We report a new series of bithiopheneimide-based donor-acceptor copolymers for bulk-heterojunction (BHJ) PSCs. The bithiopheneimide electron-deficiency compresses polymer bandgaps and lowers the HOMOs--essential to maximize power conversion efficiency (PCE). While the dithiophene bridge progression R2Si→R2Ge minimally impacts bandgaps, it substantially alters the HOMO energies. Furthermore, imide N-substituent variation has negligible impact on polymer opto-electrical properties, but greatly affects solubility and microstructure. Grazing incidence wide-angle X-ray scattering (GIWAXS) indicates that branched N-alkyl substituents increased polymer π-π spacings vs. linear N-alkyl substituents, and the dithienosilole-based PBTISi series exhibits more ordered packing than the dithienogermole-based PBTIGe analogs. Further insights into structure-property-device performance correlations are provided by a thieno[3,4-c]pyrrole-4,6-dione (TPD)-dithienosilole copolymer PTPDSi. DFT computation and optical spectroscopy show that the TPD-based polymers achieve greater subunit-subunit coplanarity via intramolecular (thienyl)S•••O(carbonyl) interactions, and GIWAXS indicates that PBTISi-C8 has lower lamellar ordering, but closer π-π spacing than the TPD-based analog. Inverted BHJ solar cells using bithiopheneimide-based polymer as donor and PC71BM as acceptor exhibit promising device performance with PCEs up to 6.41% and Voc > 0.80 V. In analogous cells, the TPD analog exhibits 0.08 V higher Voc with an enhanced PCE of 6.83%, mainly attributable to the lower-lying HOMO induced by the higher imide group density. These results demonstrate the potential of BTI-based polymers for high-performance solar cells, and provide generalizable insights into structure-property relationships in TPD, BTI, and related polymer semiconductors.
Xugang Guo; Nanjia Zhou; Sylvia J Lou; Jonathan W Hennek; Rocio Ponce Ortiz; Melanie R Butler; Pierre-Luc T Boudreault; Joseph W Strzalka; Pierre-Olivier Morin; Mario Leclerc; Juan Teodomiro López Navarrete; Mark A Ratner; Lin X Chen; Robert P H Chang; Antonio Facchetti; Tobin J Marks
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-10-3
Journal Detail:
Title:  Journal of the American Chemical Society     Volume:  -     ISSN:  1520-5126     ISO Abbreviation:  J. Am. Chem. Soc.     Publication Date:  2012 Oct 
Date Detail:
Created Date:  2012-10-3     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  7503056     Medline TA:  J Am Chem Soc     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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