Density functional investigation of charge transfer in organic solar cells

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DOIResolve DOI: http://doi.org/10.1149/1.3628617
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TypeArticle
Proceedings titlePhotovoltaics for the 21st century 7
Series titleECS Transactions; Volume 41
ConferencePhotovoltaics for the 21st Century 7 - 220th ECS Meeting, October 9-14, 2011, Boston, MA, USA
ISSN1938-5862
ISBN9781566779043
Pages129134; # of pages: 6
SubjectDensity functionals; Excited-state geometries; Hole state; Orbitals; Organic solar cell; Electronic structure; Ground state; Photovoltaic effects; Polymers; Charge transfer
AbstractWe study the ground state and excited state geometry, and detailed electronic structure of the germafluorene based polymer PGFDTBT and C 70 interface. The charge transfer is studied by analyzing the charge densities of individual orbitals near the HOMO and LUMO. Our results indicate that the charge transfer at the ground state of Polymer:C 70 interface is negligible, while the efficient charge transfer from polymer to C 70 takes place upon excitation. The transfer is enabled by a "bridging state" which is energetically in between the "hole state" and the "charge separated" state. ©The Electrochemical Society.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); National Institute for Nanotechnology
Peer reviewedYes
NPARC number21271934
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Record identifier760729fa-66f8-4fd4-a4da-1e0118e31eb3
Record created2014-05-07
Record modified2016-05-25
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