On the Effect of Prevalent Carbazole Homocoupling Defects on the Photovoltaic Performance of PCDTBT:PC71BM Solar Cells
Journal article, 2016
The photophysical properties and solar cell performance of the classical donor-acceptor copolymer PCDTBT(poly(N-9-heptadecanyl-2,7-carbazole-alt -5,5-(4,7-di-2-thienyl-2,1,3-benzothiadiazole))) in relation to unintentionally formed main chain defects are investigated. Carbazole-carbazole homocouplings (Cbz hc) are found to significant extent in PCDTBT made with a variety of Suzuki polycondensation conditions. Cbz hc vary between 0 and 8 mol% depending on the synthetic protocol used, and are quantified by detailed nuclear magnetic resonance spectroscopy including model compounds, which allows to establish a calibration curve from optical spectroscopy. The results are corroborated by extended time-dependent density functional theory investigations on the structural, electronic, and optical properties of regularly alternating and homocoupled chains. The photovoltaic properties of PCDTBT:fullerene blend solar cells significantly depend on the Cbz hc content for constant molecular weight, whereby an increasing amount of Cbz hc leads to strongly decreased short circuit currents J(SC). With increasing Cbz hc content, J(SC) decreases more strongly than the intensity of the low energy absorption band, suggesting that small losses in absorption cannot explain the decrease in J(SC) alone, rather than combined effects of a more localized LUMO level on the TBT unit and lower hole mobilities found in highly defective samples. Homocoupling-free PCDTBT with optimized molecular weight yields the highest efficiency up to 7.2% without extensive optimization.
homocoupling defects
organice solar cells
conjugated polymers
PCDTBT
Suzuki polycondensation
Author
F. Lombeck
Universitat Freiburg im Breisgau
University of Cambridge
H. Komber
Leibniz-Institut fur Polymerforschung Dresden e.V.
D. Fazzi
Max Planck Institut fur Kohlenforschung
D. Nava
Istituto Italiano di Tecnologia
Politecnico di Milano
J. Kuhlmann
Universitat Freiburg im Breisgau
D. Stegerer
Universitat Freiburg im Breisgau
K. Strassel
Universitat Freiburg im Breisgau
J. Brandt
Leibniz-Institut fur Polymerforschung Dresden e.V.
Amaia Diaz de Zerio Mendaza
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
Christian Müller
Chalmers, Chemistry and Chemical Engineering, Applied Chemistry
W. Thiel
Max Planck Institut fur Kohlenforschung
M. Caironi
Istituto Italiano di Tecnologia
R. Friend
University of Cambridge
M. Sommer
Universitat Freiburg im Breisgau
Advanced Energy Materials
1614-6832 (ISSN) 1614-6840 (eISSN)
Vol. 6 21Subject Categories (SSIF 2011)
Mechanical Engineering
Driving Forces
Sustainable development
Areas of Advance
Energy
DOI
10.1002/aenm.201601232