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Photovoltaic Blend Microstructure for High Efficiency Post-Fullerene Solar Cells. To Tilt or Not To Tilt?
Northwestern Univ, IL 60208 USA.
Northwestern Univ, IL 60208 USA.
Northwestern Univ, IL 60208 USA.
NIST, MD 20899 USA.
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2019 (English)In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 141, no 34, p. 13410-13420Article in journal (Refereed) Published
Abstract [en]

Achieving efficient polymer solar cells (PSCs) requires a structurally optimal donor-acceptor heterojunction morphology. Here we report the combined experimental and theoretical characterization of a benzodithiophene-benzo-thiadiazole donor polymer series (PBTZF4-R; R = alkyl substituent) blended with the non-fullerene acceptor ITIC-Th and analyze the effects of substituent dimensions on blend morphology, charge transport, carrier dynamics, and PSC metrics. Varying substituent dimensions has a pronounced effect on the blend morphology with a direct link between domain purity, to some extent domain dimensions, and charge generation and collection. The polymer with the smallest alkyl substituent yields the highest PSC power conversion efficiency (PCE, 11%), reflecting relatively small, high-purity domains and possibly benefiting from "matched" donor polymer-small molecule acceptor orientations. The distinctive morphologies arising from the substituents are investigated using molecular dynamics (MD) simulations which reveal that substituent dimensions dictate a well-defined set of polymer conformations, in turn driving chain aggregation and, ultimately, the various film morphologies and mixing with acceptor small molecules. A straightforward energetic parameter explains the experimental polymer domain morphological trends, hence PCE, and suggests strategies for substituent selection to optimize PSC materials morphologies.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2019. Vol. 141, no 34, p. 13410-13420
National Category
Polymer Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-160418DOI: 10.1021/jacs.9b03770ISI: 000484082700020PubMedID: 31379156Scopus ID: 2-s2.0-85071639432OAI: oai:DiVA.org:liu-160418DiVA, id: diva2:1353534
Note

Funding Agencies|Center for Light Energy Activated Redox Processes (LEAP); Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059]; U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD) [70NANB14H012]; U.S. DOE [DE-ACO2-06CH11357]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-ACO2-05CH11231]; Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource [NSF NNCI-1542205]; MRSEC program at the Materials Research Center [NSF DMR-1121262]; International Institute for Nanotechnology (IIN); Keck Foundation; State of Illinois; NSF; VINNOVA [2015-04859]; Swedish Research Council [2016-03979]

Available from: 2019-09-23 Created: 2019-09-23 Last updated: 2019-10-01Bibliographically approved

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Fabiano, Simone

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