Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface

Handle URI:
http://hdl.handle.net/10754/556842
Title:
Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface
Authors:
Gruenewald, Marco; Schirra, Laura K.; Winget, Paul; Kozlik, Michael; Ndione, Paul F.; Sigdel, Ajaya K.; Berry, Joseph J.; Forker, Roman; Bredas, Jean-Luc ( 0000-0001-7278-4471 ) ; Fritz, Torsten; Monti, Oliver L. A.
Abstract:
We investigate the prototypical hybrid interface formed between PTCDA and conductive n-doped ZnO films by means of complementary optical and electronic spectroscopic techniques. We demonstrate that shallow donors in the vicinity of the ZnO surface cause an integer charge transfer to PTCDA, which is clearly restricted to the first monolayer. By means of DFT calculations, we show that the experimental signatures of the anionic PTCDA species can be understood in terms of strong hybridization with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron-transport level but requires rather an atomistic understanding of the interfacial interactions. The study reveals that defect sites and dopants can have a significant influence on the specifics of interfacial coupling and thus on carrier injection or extraction.
KAUST Department:
Solar and Photovoltaic Engineering Research Center (SPERC)
Citation:
Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface 2015, 119 (9):4865 The Journal of Physical Chemistry C
Publisher:
American Chemical Society (ACS)
Journal:
The Journal of Physical Chemistry C
Issue Date:
11-Feb-2015
DOI:
10.1021/jp512153b
Type:
Article
ISSN:
1932-7447; 1932-7455
Additional Links:
http://pubs.acs.org/doi/abs/10.1021/jp512153b
Appears in Collections:
Articles; Solar and Photovoltaic Engineering Research Center (SPERC)

Full metadata record

DC FieldValue Language
dc.contributor.authorGruenewald, Marcoen
dc.contributor.authorSchirra, Laura K.en
dc.contributor.authorWinget, Paulen
dc.contributor.authorKozlik, Michaelen
dc.contributor.authorNdione, Paul F.en
dc.contributor.authorSigdel, Ajaya K.en
dc.contributor.authorBerry, Joseph J.en
dc.contributor.authorForker, Romanen
dc.contributor.authorBredas, Jean-Lucen
dc.contributor.authorFritz, Torstenen
dc.contributor.authorMonti, Oliver L. A.en
dc.date.accessioned2015-06-12T06:28:56Zen
dc.date.available2015-06-12T06:28:56Zen
dc.date.issued2015-02-11en
dc.identifier.citationInteger Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface 2015, 119 (9):4865 The Journal of Physical Chemistry Cen
dc.identifier.issn1932-7447en
dc.identifier.issn1932-7455en
dc.identifier.doi10.1021/jp512153ben
dc.identifier.urihttp://hdl.handle.net/10754/556842en
dc.description.abstractWe investigate the prototypical hybrid interface formed between PTCDA and conductive n-doped ZnO films by means of complementary optical and electronic spectroscopic techniques. We demonstrate that shallow donors in the vicinity of the ZnO surface cause an integer charge transfer to PTCDA, which is clearly restricted to the first monolayer. By means of DFT calculations, we show that the experimental signatures of the anionic PTCDA species can be understood in terms of strong hybridization with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron-transport level but requires rather an atomistic understanding of the interfacial interactions. The study reveals that defect sites and dopants can have a significant influence on the specifics of interfacial coupling and thus on carrier injection or extraction.en
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/jp512153ben
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/jp512153b.en
dc.titleInteger Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interfaceen
dc.typeArticleen
dc.contributor.departmentSolar and Photovoltaic Engineering Research Center (SPERC)en
dc.identifier.journalThe Journal of Physical Chemistry Cen
dc.eprint.versionPost-printen
dc.contributor.institutionFriedrich Schiller Universität Jena, Institut für Festkörperphysik, Helmholtzweg 5, 07743 Jena, Germanyen
dc.contributor.institutionSchool of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United Statesen
dc.contributor.institutionNational Renewable Energy Laboratory, Golden, Colorado 80401, United Statesen
kaust.authorBredas, Jean-Lucen
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