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Extended Intermolecular Interactions Governing Photocurrent-Voltage Relations in Ternary Organic Solar Cells
Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering. Swiss Federal Institute Technology EPFL, Switzerland.
Fraunhofer Institute Electron Beam Plasma Technology and CO, Germany.
Ecole Polytech Federal Lausanne, Switzerland.
Linköping University, Department of Physics, Chemistry and Biology, Biomolecular and Organic Electronics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-2582-1740
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2016 (English)In: Journal of Physical Chemistry Letters, ISSN 1948-7185, E-ISSN 1948-7185, Vol. 7, no 19, 3936-3944 p.Article in journal (Refereed) Published
Abstract [en]

Efficient organic solar cells are based on (electron) donor-acceptor heterojunctions. An optically generated excited molecular state (exciton) is dissociated at this junction, forming a charge-transfer (CT) state in an intermediate step before the electron and hole are completely separated. The observed highly efficient dissociation of this Coulombically bound state raises the question on the dissociation mechanism. Here, we show that the observed high quantum yields of charge carrier generation and CT state dissociation are due to extended (and consequently weakly bound) CT states visible in absorption and emission spectra and first-principles calculations. Identifying a new geminate-pair loss mechanism via donor excimers, we find that the hole on the small-molecule donor is not localized on a single molecule and charge separation is correlated with the energetic offset between excimer and CT states. Thus, the charges upon interface charge transfer and even in the case of back-transfer and recombination are less localized than commonly assumed.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2016. Vol. 7, no 19, 3936-3944 p.
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-132470DOI: 10.1021/acs.jpclett.6b01962ISI: 000384966500037PubMedID: 27673686OAI: oai:DiVA.org:liu-132470DiVA: diva2:1046278
Note

Funding Agencies|Knut and Alice Wallenberg Foundation; Swedish Research Council; European Commission under a Marie Curie Intra-European Fellowship for Career Development; Swiss National Science foundation [200020-146645]; NCCRs MUST; MARVEL; [NRP70]

Available from: 2016-11-13 Created: 2016-11-12 Last updated: 2016-11-13

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