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Impact of Singly Occupied Molecular Orbital Energy on the n-Doping Efficiency of Benzimidazole Derivatives
Linköping University, Department of Science and Technology, Laboratory of Organic Electronics. Linköping University, Faculty of Science & Engineering.
CNR, Italy.
CNR, Italy.
Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.
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2019 (English)In: ACS Applied Materials and Interfaces, ISSN 1944-8244, E-ISSN 1944-8252, Vol. 11, no 41, p. 37981-37990Article in journal (Refereed) Published
Abstract [en]

We investigated the impact of singly occupied molecular orbital (SOMO) energy on the n-doping efficiency of benzimidazole derivatives. By designing and synthesizing a series of new air-stable benzimidazole-based dopants with different SOMO energy levels, we demonstrated that an increase of the dopant SOMO energy by only similar to 0.3 eV enhances the electrical conductivity of a benchmark electron-transporting naphthalenediimide-bithiophene polymer by more than 1 order of magnitude. By combining electrical, X-ray diffraction, and electron paramagnetic resonance measurements with density functional theory calculations and analytical transport simulations, we quantitatively characterized the conductivity, Seebeck coefficient, spin density, and crystallinity of the doped polymer as a function of the dopant SOMO energy. Our findings strongly indicate that charge and energy transport are dominated by the (relative) position of the SOMO level, whereas morphological differences appear to play a lesser role. These results set molecular-design guidelines for next-generation n-type dopants.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2019. Vol. 11, no 41, p. 37981-37990
Keywords [en]
n-type dopants; DMBI; SOMO energy; electron transfer; n-doped polymers
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-161852DOI: 10.1021/acsami.9b12441ISI: 000491219700063PubMedID: 31539222OAI: oai:DiVA.org:liu-161852DiVA, id: diva2:1370880
Note

Funding Agencies|Swedish Foundation for Strategic Research, VINNOVA [2015-04859]; Swedish Research CouncilSwedish Research Council [2016-03979]; AForsk [18-313]; Advanced Functional Materials Center at Linkoping University [2009-00971]; Regione LombardiaRegione Lombardia; Fondazione CariploFondazione Cariplo; SmartMatLab Centre project [2014-42639194]; Finnish Cultural FoundationFinnish Cultural Foundation; Universita degli Studi di Milano (Piano Sostegno alla Ricerca 2018 LINEA 2 Azione A-Giovani Ricercatori)

Available from: 2019-11-18 Created: 2019-11-18 Last updated: 2020-03-09

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The full text will be freely available from 2020-09-20 12:58
Available from 2020-09-20 12:58

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