Photoinduced degradation of polymer and polymer-fullerene active layers: Experiment and theory

Matthew O. Reese, Alexandre M. Nardes, Benjamin L. Rupert, Ross E. Larsen, Dana C. Olson, Matthew T. Lloyd, Sean E. Shaheen, David S. Ginley, Gary Rumbles, Nikos Kopidakis

Research output: Contribution to journalArticle

200 Citations (Scopus)

Abstract

As organic photovoltaic efficiencies steadily improve, understanding degradation pathways becomes increasingly important. In this paper, the stability under prolonged illumination of a prototypical polymer:fullerene active layer is studied without the complications introduced by additional layers and interfaces in complete devices. Combining contactless photoconductivity with spectroscopy, structural characterization at the molecular and film level, and quantum chemical calculations, the mechanism of photoinduced degradation in bulk heterojunctions of poly (3-hexylthiophene) (P3HT) and [6,6]-phenyl C61-butyric acid methyl ester (PCBM) is studied. Bare films are subjected to four conditions for 1000 h with either constant illumination or dark and either ambient or inert atmosphere. All samples are found to be intrinsically stable for 1000+ h under inert conditions, in contrast to complete devices. While PCBM stabilizes P3HT films exposed to air, its fullerene cage is found to undergo a series of oxidations that are responsible for the deterioration of the photoconductivity of the material. Quantum chemical calculations show that PCBM oxides have deeper LUMO levels than pristine PCBM and therefore act as traps for electrons in the PCBM domains.

Original languageEnglish
Pages (from-to)3476-3483
Number of pages8
JournalAdvanced Functional Materials
Volume20
Issue number20
DOIs
Publication statusPublished - Oct 22 2010

Fingerprint

Fullerenes
Butyric acid
Butyric Acid
butyric acid
fullerenes
esters
Esters
Polymers
degradation
Degradation
Photoconductivity
polymers
photoconductivity
Lighting
Experiments
illumination
inert atmosphere
Oxides
Deterioration
Heterojunctions

Keywords

  • degradation mechanisms
  • organic photovoltaics
  • stability
  • time-resolved microwave conductivity

ASJC Scopus subject areas

  • Biomaterials
  • Electrochemistry
  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Reese, M. O., Nardes, A. M., Rupert, B. L., Larsen, R. E., Olson, D. C., Lloyd, M. T., ... Kopidakis, N. (2010). Photoinduced degradation of polymer and polymer-fullerene active layers: Experiment and theory. Advanced Functional Materials, 20(20), 3476-3483. https://doi.org/10.1002/adfm.201001079

Photoinduced degradation of polymer and polymer-fullerene active layers : Experiment and theory. / Reese, Matthew O.; Nardes, Alexandre M.; Rupert, Benjamin L.; Larsen, Ross E.; Olson, Dana C.; Lloyd, Matthew T.; Shaheen, Sean E.; Ginley, David S.; Rumbles, Gary; Kopidakis, Nikos.

In: Advanced Functional Materials, Vol. 20, No. 20, 22.10.2010, p. 3476-3483.

Research output: Contribution to journalArticle

Reese, MO, Nardes, AM, Rupert, BL, Larsen, RE, Olson, DC, Lloyd, MT, Shaheen, SE, Ginley, DS, Rumbles, G & Kopidakis, N 2010, 'Photoinduced degradation of polymer and polymer-fullerene active layers: Experiment and theory', Advanced Functional Materials, vol. 20, no. 20, pp. 3476-3483. https://doi.org/10.1002/adfm.201001079
Reese, Matthew O. ; Nardes, Alexandre M. ; Rupert, Benjamin L. ; Larsen, Ross E. ; Olson, Dana C. ; Lloyd, Matthew T. ; Shaheen, Sean E. ; Ginley, David S. ; Rumbles, Gary ; Kopidakis, Nikos. / Photoinduced degradation of polymer and polymer-fullerene active layers : Experiment and theory. In: Advanced Functional Materials. 2010 ; Vol. 20, No. 20. pp. 3476-3483.
@article{e14b7aae5a8e464bb883afebdf87221b,
title = "Photoinduced degradation of polymer and polymer-fullerene active layers: Experiment and theory",
abstract = "As organic photovoltaic efficiencies steadily improve, understanding degradation pathways becomes increasingly important. In this paper, the stability under prolonged illumination of a prototypical polymer:fullerene active layer is studied without the complications introduced by additional layers and interfaces in complete devices. Combining contactless photoconductivity with spectroscopy, structural characterization at the molecular and film level, and quantum chemical calculations, the mechanism of photoinduced degradation in bulk heterojunctions of poly (3-hexylthiophene) (P3HT) and [6,6]-phenyl C61-butyric acid methyl ester (PCBM) is studied. Bare films are subjected to four conditions for 1000 h with either constant illumination or dark and either ambient or inert atmosphere. All samples are found to be intrinsically stable for 1000+ h under inert conditions, in contrast to complete devices. While PCBM stabilizes P3HT films exposed to air, its fullerene cage is found to undergo a series of oxidations that are responsible for the deterioration of the photoconductivity of the material. Quantum chemical calculations show that PCBM oxides have deeper LUMO levels than pristine PCBM and therefore act as traps for electrons in the PCBM domains.",
keywords = "degradation mechanisms, organic photovoltaics, stability, time-resolved microwave conductivity",
author = "Reese, {Matthew O.} and Nardes, {Alexandre M.} and Rupert, {Benjamin L.} and Larsen, {Ross E.} and Olson, {Dana C.} and Lloyd, {Matthew T.} and Shaheen, {Sean E.} and Ginley, {David S.} and Gary Rumbles and Nikos Kopidakis",
year = "2010",
month = "10",
day = "22",
doi = "10.1002/adfm.201001079",
language = "English",
volume = "20",
pages = "3476--3483",
journal = "Advanced Functional Materials",
issn = "1616-301X",
publisher = "Wiley-VCH Verlag",
number = "20",

}

TY - JOUR

T1 - Photoinduced degradation of polymer and polymer-fullerene active layers

T2 - Experiment and theory

AU - Reese, Matthew O.

AU - Nardes, Alexandre M.

AU - Rupert, Benjamin L.

AU - Larsen, Ross E.

AU - Olson, Dana C.

AU - Lloyd, Matthew T.

AU - Shaheen, Sean E.

AU - Ginley, David S.

AU - Rumbles, Gary

AU - Kopidakis, Nikos

PY - 2010/10/22

Y1 - 2010/10/22

N2 - As organic photovoltaic efficiencies steadily improve, understanding degradation pathways becomes increasingly important. In this paper, the stability under prolonged illumination of a prototypical polymer:fullerene active layer is studied without the complications introduced by additional layers and interfaces in complete devices. Combining contactless photoconductivity with spectroscopy, structural characterization at the molecular and film level, and quantum chemical calculations, the mechanism of photoinduced degradation in bulk heterojunctions of poly (3-hexylthiophene) (P3HT) and [6,6]-phenyl C61-butyric acid methyl ester (PCBM) is studied. Bare films are subjected to four conditions for 1000 h with either constant illumination or dark and either ambient or inert atmosphere. All samples are found to be intrinsically stable for 1000+ h under inert conditions, in contrast to complete devices. While PCBM stabilizes P3HT films exposed to air, its fullerene cage is found to undergo a series of oxidations that are responsible for the deterioration of the photoconductivity of the material. Quantum chemical calculations show that PCBM oxides have deeper LUMO levels than pristine PCBM and therefore act as traps for electrons in the PCBM domains.

AB - As organic photovoltaic efficiencies steadily improve, understanding degradation pathways becomes increasingly important. In this paper, the stability under prolonged illumination of a prototypical polymer:fullerene active layer is studied without the complications introduced by additional layers and interfaces in complete devices. Combining contactless photoconductivity with spectroscopy, structural characterization at the molecular and film level, and quantum chemical calculations, the mechanism of photoinduced degradation in bulk heterojunctions of poly (3-hexylthiophene) (P3HT) and [6,6]-phenyl C61-butyric acid methyl ester (PCBM) is studied. Bare films are subjected to four conditions for 1000 h with either constant illumination or dark and either ambient or inert atmosphere. All samples are found to be intrinsically stable for 1000+ h under inert conditions, in contrast to complete devices. While PCBM stabilizes P3HT films exposed to air, its fullerene cage is found to undergo a series of oxidations that are responsible for the deterioration of the photoconductivity of the material. Quantum chemical calculations show that PCBM oxides have deeper LUMO levels than pristine PCBM and therefore act as traps for electrons in the PCBM domains.

KW - degradation mechanisms

KW - organic photovoltaics

KW - stability

KW - time-resolved microwave conductivity

UR - http://www.scopus.com/inward/record.url?scp=78149443810&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=78149443810&partnerID=8YFLogxK

U2 - 10.1002/adfm.201001079

DO - 10.1002/adfm.201001079

M3 - Article

AN - SCOPUS:78149443810

VL - 20

SP - 3476

EP - 3483

JO - Advanced Functional Materials

JF - Advanced Functional Materials

SN - 1616-301X

IS - 20

ER -