Effect of Backbone Regiochemistry on Conductivity, Charge Density, and Polaron Structure of n-Doped Donor–Acceptor Polymers
Source abstract
Abstract
-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.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Organic Electronics and Photovoltaics · Conducting polymers and applications · Advanced Battery Materials and Technologies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Laboratory of Organic Electronics, Department of Science and Technology, Linköping University, SE-60174 Norrköping, Sweden
Institut für Physikalische Chemie, Department Chemie, Universität zu Köln, Luxemburger Str. 116, D-50939 Köln, Germany
Department of Physics Chemistry and Biology, Linköping University, SE-581 83 Linköping, Sweden
Flexterra Corporation, 8025 Lamon Avenue, 60077-5318 Skokie, Illinois, United States
Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, 4000 Roskilde, Denmark
Department of Chemistry and the Materials Research Center, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 United States
Funding
Vetenskapsr?det · Deutsche Forschungsgemeinschaft · Knut och Alice Wallenbergs Stiftelse · VINNOVA · Stiftelsen f?r?Strategisk Forskning · H2020 European Research Council · ?Forsk · Advanced Functional Materials Center, Link?ping University
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