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Title: Conformation sensitive charge transport in conjugated polymers

Temperature dependent charge carrier mobility measurements using field effect transistors and density functional theory calculations are combined to show how the conformation dependent frontier orbital delocalization influences the hole- and electron mobilities in a donor-acceptor based polymer. A conformationally sensitive lowest unoccupied molecular orbital results in an electron mobility that decreases with increasing temperature above room temperature, while a conformationally stable highest occupied molecular orbital is consistent with a conventional hole mobility behavior and also proposed to be one of the reasons for why the material works well as a hole transporter in amorphous bulk heterojunction solar cells.
Authors:
 [1] ; ;  [2]
  1. Department of Physics, Chemistry and Biology (IFM), Linköping University, Linköping SE-581 83 (Sweden)
  2. Division of Theoretical Chemistry, Lund University, P.O. Box 124, SE-221 00 Lund (Sweden)
Publication Date:
OSTI Identifier:
22254006
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 103; Journal Issue: 21; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CHARGE TRANSPORT; DENSITY FUNCTIONAL METHOD; ELECTRON MOBILITY; FIELD EFFECT TRANSISTORS; HETEROJUNCTIONS; HOLE MOBILITY; HOLES; MOLECULAR ORBITAL METHOD; POLYMERS; SOLAR CELLS; TEMPERATURE RANGE 0273-0400 K