title: Electronic interaction in composites of a conjugated polymer and carbon nanotubes: first-principles calculation and photophysical approaches.
abstract: The mechanisms that control the photophysics of composite films made of a semiconducting conjugated polymer (poly(paraphenylene vinylene), PPV) mixed with single-walled carbon nanotubes (SWNT) up to a concentration of 64 wt % are determined by using photoexcitation techniques and density functional theory. Charge separation is confirmed experimentally by rapid quenching of PPV photoluminescence and changes in photocurrent starting at relatively low concentrations of SWNT. Calculations predict strong electronic interaction between the polymer and the SWNT network when nanotubes are semiconducting.
authors.affiliation: Institut des Matériaux Jean Rouxel, Université de Nantes, CNRS, UMR6502, 2 rue de la Houssinière, 44322 Nantes, France.
authors.forename: Florian
authors.initials: F
authors.lastname: Massuyeau
authors.affiliation: Institut des Matériaux Jean Rouxel, Université de Nantes, CNRS, UMR6502, 2 rue de la Houssinière, 44322 Nantes, France.
authors.forename: Jany
authors.initials: J
authors.lastname: Wéry
authors.affiliation: Institut des Matériaux Jean Rouxel, Université de Nantes, CNRS, UMR6502, 2 rue de la Houssinière, 44322 Nantes, France.
authors.forename: Jean-Luc
authors.initials: JL
authors.lastname: Duvail
authors.affiliation: Institut des Matériaux Jean Rouxel, Université de Nantes, CNRS, UMR6502, 2 rue de la Houssinière, 44322 Nantes, France.
authors.forename: Serge
authors.initials: S
authors.lastname: Lefrant
authors.affiliation: Institut des Matériaux Jean Rouxel, Université de Nantes, CNRS, UMR6502, 2 rue de la Houssinière, 44322 Nantes, France ; Department of Materials Science and Engineering, University of Ghana, P.O. Box 24, Legon, Accra, Ghana.
authors.forename: Abu
authors.initials: A
authors.lastname: Yaya
authors.affiliation: Institut des Matériaux Jean Rouxel, Université de Nantes, CNRS, UMR6502, 2 rue de la Houssinière, 44322 Nantes, France.
authors.forename: Chris
authors.initials: C
authors.lastname: Ewels
authors.affiliation: Institut des Matériaux Jean Rouxel, Université de Nantes, CNRS, UMR6502, 2 rue de la Houssinière, 44322 Nantes, France.
authors.forename: Eric
authors.initials: E
authors.lastname: Faulques
keywords: DFT calculations; composite; conjugated polymer; energy transfer; photoconductivity; single wall carbon nanotubes; time-resolved photoluminescence