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

Handle URI:
http://hdl.handle.net/10754/597235
Title:
A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells
Authors:
Yi, Yuanping; Coropceanu, Veaceslav; Brédas, Jean-Luc
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. © 2011 The Royal Society of Chemistry.
Citation:
Yi Y, Coropceanu V, Brédas J-L (2011) A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells. J Mater Chem 21: 1479. Available: http://dx.doi.org/10.1039/c0jm02467h.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Journal of Materials Chemistry
KAUST Grant Number:
KUS-C1-015-21
Issue Date:
2011
DOI:
10.1039/c0jm02467h
Type:
Article
ISSN:
0959-9428; 1364-5501
Sponsors:
This article is dedicated to Professor Fred Wudl on the occasion of his 70<SUP>th</SUP> birthday. For nearly five decades, Fred has been at the forefront of the field of conducting and semiconducting organic materials; his impact on our research has been invaluable. We are deeply grateful for all we have learned from him and for his friendship. This work has been partially supported by the Office of Naval Research and the Center for Advanced Molecular Photovoltaics (Award No. KUS-C1-015-21 given by King Abdullah University of Science and Technology, KAUST).
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorYi, Yuanpingen
dc.contributor.authorCoropceanu, Veaceslaven
dc.contributor.authorBrédas, Jean-Lucen
dc.date.accessioned2016-02-25T12:28:37Zen
dc.date.available2016-02-25T12:28:37Zen
dc.date.issued2011en
dc.identifier.citationYi Y, Coropceanu V, Brédas J-L (2011) A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells. J Mater Chem 21: 1479. Available: http://dx.doi.org/10.1039/c0jm02467h.en
dc.identifier.issn0959-9428en
dc.identifier.issn1364-5501en
dc.identifier.doi10.1039/c0jm02467hen
dc.identifier.urihttp://hdl.handle.net/10754/597235en
dc.description.abstractThe 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. © 2011 The Royal Society of Chemistry.en
dc.description.sponsorshipThis article is dedicated to Professor Fred Wudl on the occasion of his 70<SUP>th</SUP> birthday. For nearly five decades, Fred has been at the forefront of the field of conducting and semiconducting organic materials; his impact on our research has been invaluable. We are deeply grateful for all we have learned from him and for his friendship. This work has been partially supported by the Office of Naval Research and the Center for Advanced Molecular Photovoltaics (Award No. KUS-C1-015-21 given by King Abdullah University of Science and Technology, KAUST).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.titleA comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cellsen
dc.typeArticleen
dc.identifier.journalJournal of Materials Chemistryen
dc.contributor.institutionGeorgia Institute of Technology, Atlanta, United Statesen
kaust.grant.numberKUS-C1-015-21en
kaust.grant.fundedcenterCenter for Advanced Molecular Photovoltaics (CAMP)en
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