Integrating theory, synthesis, spectroscopy and device efficiency to design and characterize donor materials for organic photovoltaics: A case study including 12 donors

S. D. Oosterhout, N. Kopidakis, Z. R. Owczarczyk, W. A. Braunecker, R. E. Larsen, Erin L Ratcliff, D. C. Olson

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

The remarkable improvements in the power conversion efficiency of solution-processable Organic Photovoltaics (OPV) have largely been driven by the development of novel narrow bandgap copolymer donors comprising an electron-donating (D) and an electron-withdrawing (A) group within the repeat unit. Given the large pool of potential D and A units and the laborious processes of chemical synthesis and device optimization, progress on new high efficiency materials can, and has been, slow with a few new efficient copolymers reported every year despite the large number of groups pursuing these materials. In this paper we present an integrated approach toward new narrow bandgap copolymers that uses theory to guide the selection of materials to be synthesized based on their predicted energy levels, and time-resolved microwave conductivity (TRMC) to select the best-performing copolymer-fullerene bulk heterojunction to be incorporated into complete OPV devices. We validate our methodology by using a diverse group of 12 copolymers, including new and literature materials, to demonstrate good correlation between (a) theoretically determined energy levels of polymers and experimentally determined ionization energies and electron affinities and (b) photoconductance, measured by TRMC, and OPV device performance. The materials used here also allow us to explore whether further copolymer design rules need to be incorporated into our methodology for materials selection. For example, we explore the effect of the enthalpy change (ΔH) during exciton dissociation on the efficiency of free charge carrier generation and device efficiency and find that ΔH of -0.4 eV is sufficient for efficient charge generation.

Original languageEnglish (US)
Pages (from-to)9777-9788
Number of pages12
JournalJournal of Materials Chemistry A
Volume3
Issue number18
DOIs
StatePublished - May 14 2015

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Copolymers
Spectroscopy
Electron energy levels
Energy gap
Microwaves
Fullerenes
Electron affinity
Electrons
Ionization potential
Charge carriers
Excitons
Conversion efficiency
Heterojunctions
Enthalpy
Polymers

ASJC Scopus subject areas

  • Chemistry(all)
  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)

Cite this

Integrating theory, synthesis, spectroscopy and device efficiency to design and characterize donor materials for organic photovoltaics : A case study including 12 donors. / Oosterhout, S. D.; Kopidakis, N.; Owczarczyk, Z. R.; Braunecker, W. A.; Larsen, R. E.; Ratcliff, Erin L; Olson, D. C.

In: Journal of Materials Chemistry A, Vol. 3, No. 18, 14.05.2015, p. 9777-9788.

Research output: Contribution to journalArticle

Oosterhout, S. D. ; Kopidakis, N. ; Owczarczyk, Z. R. ; Braunecker, W. A. ; Larsen, R. E. ; Ratcliff, Erin L ; Olson, D. C. / Integrating theory, synthesis, spectroscopy and device efficiency to design and characterize donor materials for organic photovoltaics : A case study including 12 donors. In: Journal of Materials Chemistry A. 2015 ; Vol. 3, No. 18. pp. 9777-9788.
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