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Solid-State NMR Characterization of the Structure and Morphology of Bulk Heterojunction Solar Cells

Baughman, Jessi Alan
http://orcid.org/0000-0001-5122-0976
http://rave.ohiolink.edu/etdc/view?acc_num=akron1343136219

Abstract Details

2012, Master of Science, University of Akron, Chemistry.
A bulk heterojunction, organic solar cell, composed of a blend of poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) was studied to determine the structure at the interface of the two compounds. Films of neat P3HT and the P3HT:PCBM composite where cast and annealed at elevated temperatures in order to determine the impact of sample annealing on the interface structure and interface volume of the blend. The films were characterized with 1D 13C solid-state NMR and 2D 1H-13C heteronuclear correlation (HETCOR) NMR. HETCOR NMR, with Lee-Goldburg cross polarization, was used to observe discrete intermolecular interactions between the alkyl side chain of P3HT and the C60, phenyl ring, and alkyl groups of PCBM. From these intermolecular interactions, a model of the structure at the P3HT:PCBM interface was constructed, which reveals the presence of stabilizing π- stacking between the thiophene ring of the P3HT and the phenyl ring of PCBM. Also, the C60 species interacts extensively with the alkyl groups of P3HT. The data indicates a phase separation after annealing that reduces the volume of the interface without disturbing the interface structure. A HETCOR NMR method using tangent cross polarization was used to confirm the phase separation of the P3HT and PCBM layers after thermal annealing.
David Modarelli, Dr. (Advisor)
Matthew Espe, Dr. (Committee Member)
Kim Calvo, Dr. (Committee Chair)
58 p.
Alternative Energy; Analytical Chemistry; Chemistry; Energy; Materials Science; Molecular Chemistry; Morphology; Polymer Chemistry; Polymers
bulk heterojunction; organic; solar cells; P3HT; PCBM; solid-state NMR; MAS; HETCOR; interface; electron transfer; power conversion efficiency; phase separation;

Recommended Citations

Citations

  • Baughman, J. A. (2012). Solid-State NMR Characterization of the Structure and Morphology of Bulk Heterojunction Solar Cells [Master's thesis, University of Akron]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=akron1343136219

    APA Style (7th edition)

  • Baughman, Jessi. Solid-State NMR Characterization of the Structure and Morphology of Bulk Heterojunction Solar Cells. 2012. University of Akron, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=akron1343136219.

    MLA Style (8th edition)

  • Baughman, Jessi. "Solid-State NMR Characterization of the Structure and Morphology of Bulk Heterojunction Solar Cells." Master's thesis, University of Akron, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=akron1343136219

    Chicago Manual of Style (17th edition)

akron1343136219
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© 2012, all rights reserved.
This open access ETD is published by University of Akron and OhioLINK.