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Effect of Backbone Regiochemistry on Conductivity, Charge Density, and Polaron Structure of n-Doped Donor-Acceptor Polymers
Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
Univ Cologne, Germany.
Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Molecular Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0003-3899-4891
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2019 (English)In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 31, no 9, p. 3395-3406Article in journal (Refereed) Published
Abstract [en]

We investigated the influence of backbone regiochemistry on the conductivity, charge density, and polaron structure in the widely studied n-doped donor-acceptor polymer poly[N,N-bis(2-octyldodecyl)-1,4,5,8-naphthalenediimide-2,6-diyl]-alt-5,5-(2,2-bithiophene) [P-(NDI2OD-T2)]. In contrast to classic semicrystalline polymers such as poly(3-hexylthiophene) (P3HT), the regioirregular (RI) structure of the naphthalenediimide (NDI)-bithiophene (T2) backbone does not alter the intramolecular steric demand of the chain versus the regioregular (RR) polymer, yielding RI-P(NDI2OD-T2) with similar energetics and optical features as its RR counterpart. By combining the electrical, UV-vis/infrared, X-ray diffraction, and electron paramagnetic resonance data and density functional theory calculations, we quantitatively characterized the conductivity, aggregation, crystallinity, and charge density, and simulated the polaron structures, molecular vibrations, and spin density distribution of RR-/RI-P(NDI2OD-T2). Importantly, we observed that RI-P(NDI2OD-T2) can be doped to a greater extent compared to its RR counterpart. This finding is remarkable and contrasts benchmark P3HT, allowing us to uniquely study the role of regiochemistry on the charge-transport properties of n-doped donor-acceptor polymers.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2019. Vol. 31, no 9, p. 3395-3406
National Category
Condensed Matter Physics
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URN: urn:nbn:se:liu:diva-158340DOI: 10.1021/acs.chemmater.9b00558ISI: 000468242300036Scopus ID: 2-s2.0-85065728038OAI: oai:DiVA.org:liu-158340DiVA, id: diva2:1333856
Note

Funding Agencies|Knut and Alice Wallenberg foundation; Swedish Foundation for Strategic Research; VINNOVA [2015-04859]; Swedish Research Council [2016-03979]; Advanced Functional Materials Center at Linkoping University [2009-00971]; AForsk [18-313]; AFOSR [FA9550-18-1-0320]; Deutsche Forschungsgemeinschaft (DFG) [FA 1502/1-1]; European Research Council (ERC) [681881]

Available from: 2019-07-02 Created: 2019-07-02 Last updated: 2019-11-05Bibliographically approved

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