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Near-edge X-ray Absorption Fine Structure Study of the C60-derivative PCBM
Department of Physics and Astronomy, Uppsala University.
Karlstad University, Faculty of Technology and Science, Department of Physics and Electrical Engineering. (Materialfysik)
Department of Physics and Astronomy, Uppsala University.
Karlstad University, Faculty of Technology and Science, Department of Physics and Electrical Engineering. (Materialvetenskap)
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2013 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 568-569, 130-134 p.Article in journal (Refereed) Published
Abstract [en]

The fullerene derivative [6,6]-phenyl-C61-butyric acid methyl ester plays a key role for electron transport in polymer solar cells. We have studied the unoccupied molecular orbitals of PCBM by near edge X-ray absorption fine structure spectroscopy and were able to assign the main resonances to molecular moieties by comparison with calculated sum spectra of individual carbons. We analyzed specifically the origin of the high-energy shoulder to the first π-resonance and identified contributions from the lowest-energy transition of a specific carbon in the phenyl and from transitions to higher unoccupied orbitals of the unmodified carbons in the C60-cage.

Place, publisher, year, edition, pages
Amsterdam, 2013. Vol. 568-569, 130-134 p.
National Category
Physical Sciences
Research subject
Physics
Identifiers
URN: urn:nbn:se:kau:diva-16110DOI: 10.1016/j.cplett.2013.03.031ISI: 000318320300025OAI: oai:DiVA.org:kau-16110DiVA: diva2:574991
Note

(included in PhD thesis: Material aspects in spin-coated films for polymer photovoltaics, Ana Sofia Anselmo)

Available from: 2012-12-07 Created: 2012-12-07 Last updated: 2017-08-14Bibliographically approved
In thesis
1. Materials aspects in spin-coated films for polymer photovoltaics
Open this publication in new window or tab >>Materials aspects in spin-coated films for polymer photovoltaics
2013 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Polymer-based photovoltaics have the potential to contribute to boosting photovoltaic energy conversion overall. Besides allowing large-area inexpensive processing, polymeric materials have the added benefit of opening new market applications for photovoltaics due to their low-weight and interesting mechanical properties. The energy conversion efficiency values of polymer photovoltaics have reached new record values over the past years. It is however crucial that stability issues are addressed together with efficiency optimization. Understanding fundamental materials aspects is key in both areas.

In the work presented in this thesis, the morphology of polymer:fullerene films and its influence on device performance was studied, as well as the effect of light exposure on the surface of fullerene films. Several polyfluorene copolymers were used for the morphology studies, where the effects of changing spin-coating solvent and of side chain engineering were investigated with dynamic secondary ion mass spectrometry (dSIMS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Polymer-enriched surfaces were found in all blend films, even in the cases with homogeneous distributions in the bulk. Side chain engineering of the polymer led to gradual changes in the compositional variations perpendicular to the surface, and to slight variations in the photocurrent. The electronic structure of the fullerene derivative PCBM was studied in detail and the spectroscopic fingerprint of the materials was analysed by comparison with theoretically simulated spectra. Photo-stability studies done in air showed that the surface of fullerene films underwent severe damages at the molecular level, which is evident from changes in the valence band and X-ray absorption spectra. These changes were explained by transitions from sp2-type to sp3 hybridization of the carbon atoms in the cage that resulted in the destruction of the fullerene cage.

Place, publisher, year, edition, pages
Karlstad: Karlstads universitet, 2013. 88 p.
Series
Karlstad University Studies, ISSN 1403-8099 ; 2013:3
Keyword
materials science, photovoltaics, conjugated polymer, polymer solar cell, bulk heterojunction, coating, morphology, fullerene, photostability, degradation, X-ray absorption spectroscopy, synchroton-based techniques
National Category
Physical Sciences
Research subject
Materialvetenskap
Identifiers
urn:nbn:se:kau:diva-16107 (URN)978-91-7063-475-8 (ISBN)
Public defence
2013-01-25, 21A342, Karlstad University, SE-651 88, Karlstad, 13:15 (English)
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Available from: 2013-01-07 Created: 2012-12-07 Last updated: 2013-01-07Bibliographically approved

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Anselmo, Ana SofiaDzwilewski, AndrzejSvensson, KristerMoons, Ellen
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