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J Phys Chem Lett. 2016 Jan 07;7(1):198-203. doi: 10.1021/acs.jpclett.5b02580. Epub 2015 Dec 30.

Charge Recombination Suppressed by Destructive Quantum Interference in Heterojunction Materials.

The journal of physical chemistry letters

Roel Tempelaar, L Jan Anton Koster, Remco W A Havenith, Jasper Knoester, Thomas L C Jansen

Affiliations

  1. Zernike Institute for Advanced Materials, University of Groningen , Nijenborgh 4, 9747 AG Groningen, The Netherlands.
  2. Stratingh Institute for Chemistry, University of Groningen , Nijenborgh 4, 9747 AG, Groningen, The Netherlands.
  3. Ghent Quantum Chemistry Group, Department of Inorganic and Physical Chemistry, Ghent University , Krijgslaan 281 (S3), B-9000 Gent, Belgium.

PMID: 26683652 DOI: 10.1021/acs.jpclett.5b02580

Abstract

We show that charge recombination in ordered heterojunctions depends sensitively on the degree of coherent delocalization of charges at the donor-acceptor interface. Depending on the relative sign of the electron and hole transfer integrals, such delocalization can dramatically suppress recombination through destructive quantum interference. This could explain why measured recombination rates are significantly lower than predictions based on Langevin theory for a variety of organic bulk heterojunctions. Moreover, it opens up a design strategy for photovoltaic devices with enhanced efficiencies through coherently suppressed charge recombination.

Keywords: Langevin theory; bimolecular recombination; organic photovoltaics; quantum coherence

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