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Issue 5, 2011
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A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells

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Abstract

The exciton-dissociation and charge-recombination processes in donor–acceptor complexes found in α-sexithienyl/C60 and α-sexithienyl/perylenetetracarboxydiimide (PDI) solar cells are investigated by means of quantum-chemical methods. The electronic couplings and exciton-dissociation and charge-recombination rates have been evaluated for various configurations of the complexes. The results suggest that the decay of the lowest charge-transfer state to the ground state in the PDI-based devices: (i) is faster than that in the fullerene-based devices and (ii) in most cases, can compete with the dissociation of the charge-transfer state into mobile charge carriers. This faster charge-recombination process is consistent with the lower performance observed experimentally for the devices using PDI derivatives as the acceptor.

Graphical abstract: A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells

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Publication details

The article was received on 29 Jul 2010, accepted on 27 Sep 2010 and first published on 06 Jan 2011


Article type: Paper
DOI: 10.1039/C0JM02467H
Citation: J. Mater. Chem., 2011,21, 1479-1486
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    A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells

    Y. Yi, V. Coropceanu and J. Brédas, J. Mater. Chem., 2011, 21, 1479
    DOI: 10.1039/C0JM02467H

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