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Charge transport in organic 
 (polymer based) devices

Carsten
June 19, 2018

Charge transport in organic 
 (polymer based) devices

Field dependence of charge carrier mobility in organic blend devices, investigated by kinetic Monte Carlo simulations

Carsten

June 19, 2018
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  1. www.tu-chemnitz.de/physik/OPKM E-MRS Spring Meeting · 19th June 2018 · [email protected]

    Michael Heiber and Carsten Deibel Optik und Photonik kondensierter Materie Institut für Physik Technische Universität Chemnitz Charge transport in organic 
 (polymer based) devices
  2. www.tu-chemnitz.de/physik/OPKM [email protected] Charge Transport in View of OPV • Charges

    created at donor- acceptor interface in the film • Slow extraction ∝ low mobility leads to greater recombination losses • How does the nanoscale morphology affect the charge carrier mobility? → Kinetic Monte Carlo simulation Fullerene Aluminium Cathode Transparent Anode Polymer
  3. www.tu-chemnitz.de/physik/OPKM [email protected] • hopping transport • energetic disorder, e.g. Gaussian

    • Miller Abrahams jump rate
 
 
 
 
 
 • Coulomb interaction considered • blend morphology Kinetic Monte Carlo Simulation of Hopping Acceptor Donor + E-Field − c.f. Bässler, PSSB 175, 15 (1993). Critical perspective: Baranovskii, 1700676 (2018) ⌫ = ⌫0 exp ( rij) ( exp ⇣ Eij kT ⌘ up 1 down <latexit sha1_base64="zBSaFeIPPns8h00NhlyrlQ9dcO0=">AAACqnicbVHbbtQwEHXCrSy3LTzyMmIFKohuk77AC1LFReKxoG5btF4ix5nsmnWc1J5AV1E+EP6Av8GbRpS2jGRrdGbmzMyZtNLKURT9DsJr12/cvLVxe3Dn7r37D4abDw9dWVuJE1nq0h6nwqFWBiekSONxZVEUqcajdPluHT/6jtap0hzQqsJZIeZG5UoK8lAy/MlTnCvT4IkR1orVi3bATQ1vwP9JBBxPK64xp61tPhdFIcAmjfrWArdqvqDn0AV5Az1Nx9E2Wrb/lMI2z62QDX+PmgR86BjaZnlwTvMMOOEpNXXlMQ7xXyArf5gWPJnJevK+ZjzosPO5k+EoGkedwVUn7p0R620/Gf7iWSnrAg1JLZybxlFFM9+FlNTodagdVkIuxRybTugWnnoog7y0/hmCDr2QJwrnVkXqMwtBC3c5tgb/F5vWlL+eNcpUNaGRZ43yWgOVsL4aZMqiJL0CIaWftxbk55AL4WUlf92BXz6+vOpV53B3HEfj+NPuaO9tL8MGe8yesC0Ws1dsj31k+2zCZLATTIKvQRK+DD+HX8LpWWoY9DWP2AULsz/hbNIO</latexit> <latexit 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  4. www.tu-chemnitz.de/physik/OPKM [email protected] Simulated Nongeminate Recombination R <latexit sha1_base64="PUWNlUgdEChqszf1D4Lvh3MIDX8=">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</latexit> <latexit sha1_base64="JtZaxqNZuIPE+SpJXOp+zv9iJtI=">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</latexit>

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  5. www.tu-chemnitz.de/physik/OPKM [email protected] Simulated Nongeminate Recombination R <latexit sha1_base64="PUWNlUgdEChqszf1D4Lvh3MIDX8=">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</latexit> <latexit sha1_base64="JtZaxqNZuIPE+SpJXOp+zv9iJtI=">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</latexit>

    <latexit sha1_base64="JtZaxqNZuIPE+SpJXOp+zv9iJtI=">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</latexit> <latexit sha1_base64="F2EPerom6OCup1mUef0rqtNeqfg=">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</latexit> p µeµh <latexit sha1_base64="hfrEUZTNcCcPY8DzLBNIKQ8tdfM=">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</latexit> <latexit sha1_base64="+EoRKVBoAM+9Pj+I4kk1EA1Kv9M=">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</latexit> <latexit sha1_base64="+EoRKVBoAM+9Pj+I4kk1EA1Kv9M=">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</latexit> <latexit sha1_base64="xVFXkVMz3zzQEtcGe1MvpHhH6DI=">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</latexit> M. C. Heiber et al, Phys Rev Lett 114,136602 (2015) M. C. Heiber et al, Phys Rev B 93, 205204 (2016) R ∝ μe μh Typical case
  6. www.tu-chemnitz.de/physik/OPKM [email protected] Charge Transport in View of OPV • Charges

    created at donor- acceptor interface in the film • Slow extraction leads to greater recombination losses • How does the nanoscale morphology affect the charge extraction time? → Kinetic Monte Carlo simulation Fullerene Aluminium Cathode Transparent Anode Polymer
  7. www.tu-chemnitz.de/physik/OPKM [email protected] Experimental Determination of Mobilities • example: time-of-flight photocurrent

    J. Lorrmann et al. J. Appl. Phys. 115, 183702 (2014) thickness L voltage V field F = V / L Aluminium Cathode Transparent Anode photo- current
  8. www.tu-chemnitz.de/physik/OPKM [email protected] Experimental Determination of Mobilities • example: time-of-flight photocurrent

    • geometric method (μgeo) overestimates the 
 mobility = expectation value μm of the mobility distribution • deviation more prominent at low electric fields and low temp J. Lorrmann et al. J. Appl. Phys. 115, 183702 (2014) ln f ð Þ Scheme J. Appl. Phys. 115, 183702 (2014) 183702-6 Lorrmann et al. FIG. 2. Upper part: Mobility distributions p l (l) for three different tempera- tures T ¼ 130, 190, 300 K (from left to right) at a fixed electric field of. F ¼ 1:2 Â 108 V m . The vertical straight lines illustrate the four different defi- nitions of mobility ltr,m (dashed-double-dotted), lm (dashed), lgeo (solid), 183702-6 Lorrmann et al. 300 K 190 K 130 K
  9. www.tu-chemnitz.de/physik/OPKM [email protected] Field Dependence of Mobility W. D. Gill, J.

    Appl. Phys. 43, 5033 (1972) µ / exp ⇣ p F ⌘ <latexit sha1_base64="MzvhqaL1G3xMN7k2Lv6IUA9EM9U=">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</latexit> <latexit sha1_base64="MzvhqaL1G3xMN7k2Lv6IUA9EM9U=">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</latexit> <latexit sha1_base64="MzvhqaL1G3xMN7k2Lv6IUA9EM9U=">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</latexit> <latexit sha1_base64="MzvhqaL1G3xMN7k2Lv6IUA9EM9U=">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</latexit>
  10. www.tu-chemnitz.de/physik/OPKM [email protected] 1. 
 2. 
 
 
 3. Simple

    Kinetic Monte Carlo 10 -9 2 3 mean mobility [cm 2 /Vs] 16 x10 3 14 12 10 8 6 4 2 0 E 1/2 [(V/m) 1/2 ] L=2µm σ=50meV T=300K T=250K µ = vmax F <latexit sha1_base64="/cWbmPYNHi2FQD2gK2UUk5a6XEQ=">AAADVHicjVJNb9NAEH2JKbQFSgpHOFhESJwiGyHBBanio+KCVCTSVmqqaNfdmFX8pfUmtFi58Gu4wo9B4r/0wNvFRkDFx1rrnZ158+Z5PLLKdG2j6GuvH1xau3xlfWPz6rXrWzcG2zf363JhEjVOyqw0h1LUKtOFGlttM3VYGSVymakDOX/m4gdLZWpdFm/sWaWOc5EWeqYTYemaDu5M8kX4JJzMjEia5XRi1altcnG6WjW7q+lgGI0iv8KLRtwaQ7Rrr9zuDTDBCUokWCCHQgFLO4NAzecIMSJU9B2joc/Q0j6usMImcxdEKSIEvXO+U96OWm/Bu+OsfXbCKhm3YWaIe9y7nlES7aoq2jXPc+733pf+sULjmZ3CM56SjBue8RX9Fm+J+Fdm3iI7Lf+TKZnV4aX/mhNaKXUrPnPanR4Xq3l/x2451pCcXcbPmL910GKGx75zmr2ovMf1NPmh4Tkjxld2kRAvPDIlh/T3JWsUPMes5/5oxxD67jrtwp/KsxQtoyCf8bq108OZin+foIvG/oNRHI3i1w+HO0/b6VrHbdzFfU7QI+zgJfaoI8EHfMQnfO5/6Z8HQbD2HdrvtTm38MsKtr4BD7Otew==</latexit> <latexit 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sha1_base64="MzvhqaL1G3xMN7k2Lv6IUA9EM9U=">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</latexit> 1. 2. 3.
  11. www.tu-chemnitz.de/physik/OPKM [email protected] Field Dependence of Mobility in BHJ Blends •

    Electric field dependence predicted to change in a blend • Negative field dependence is often not observed experimentally • What role does morphology play? also c.f. simulations by 
 Koster, Phys. Rev. B. 81, 205318 (2010) and 
 Frost et al, Nano Letters 6, 1674- (2006). conjugated polymers, which show highly dispersive current transients, that mobility is not a well-defined material param- eter as for materials with a well-defined carrier transit time. However, following the practice of the field we use the above approach to facilitate comparison of electron and hole tran- sients in this paper and comparison of these transients with other reports. For the P3HT film, a hole mobility of 6.3 −5 2 10-7 10-6 10-5 10-4 10-5 10-4 Current (A) Time (s) P3HT P3HT:F8TBT 0 1 2 3 4 5 6 2 3 4 5 6 7 8 5 Electric Field (x10 V/cm) TOF Mobility (x10 cm2 /Vs) -5 FIG. 1. ͑Color online͒ Hole TOF transients of P3HT and a P3HT:F8TBT blend. The inset displays the electric field dependence of hole mobility in the blend. 0 5.0x10-3 1.0x10-2 1.5x10-2 2.0x10-2 0 1x10-6 2x10-6 3x10-6 4x10-6 5x10-6 Current (A) Time (s) 10-5 10-4 10-3 10-2 10-8 10-7 10-6 No background With ~ 2 mA/cm2 backgro 10-5 10-4 10-3 10-7 10-6 Current (A) m (a) (b) 203310-2 C. R. McNeill and N. C. Greenham Appl. Phys. Lett. 93, 203310 ͑ McNeill and Greenham,
 APL 93, 203310 (2008): μ(F) ↑ in neat polymer, 
 μ(F) ↓ in blend (see inset)
  12. www.tu-chemnitz.de/physik/OPKM [email protected] Detailed Measurements of the BHJ Morphology • TEM

    used to create cross sectional images • Slices are used to construct a 3D image • Obtaining good contrast between phases is extremely difficult J. D. Roehling, K. J. Batenburg, F. B. Swain, A. J. Moulé, and I. Arslan, Adv. Funct. Mater. 23, 2115 (2013).
  13. www.tu-chemnitz.de/physik/OPKM [email protected] Tortuosity of Charge Transport Pathways • Tortuosity (τ)

    used to quantify the quality of the transport pathways • Tortuosity (τ) 
 = Shortest transport path / film thickness
  14. www.tu-chemnitz.de/physik/OPKM [email protected] Analysis of Charge Transport Pathways • Graph-Based Analysis

    of TEM tomography Tortuosity of paths in P3HT and fullerene to resp. electrodes O. Wodo, J. D. Roehling, A. J. Moulé, and B. Ganapathysubramanian, Energy Environ. Sci. 6, 3060 (2013).
  15. www.tu-chemnitz.de/physik/OPKM [email protected] Fundamental Questions How do morphological characteristics: 1. domain

    size 2. disorder 3. tortuosity affect the magnitude of the mobility and the electric- field dependence?
  16. www.tu-chemnitz.de/physik/OPKM [email protected] Bulk Heterojunction Morphology Simulator Phase Separation Smoothing •

    Ising model for creating controlled 
 BHJ morphologies • Characterisation of domain size, 
 interfacial area to volume ratio, 
 tortuosity, and more https://github.com/MikeHeiber/Ising_OPV
  17. www.tu-chemnitz.de/physik/OPKM [email protected] Creating Anisotropic Morphologies Cross-sectional images created using Igor

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  18. www.tu-chemnitz.de/physik/OPKM [email protected] Anisotropic Domain Growth • Anisotropic interaction energy causes

    anisotropic domain growth • Anisotropic domains have higher average tortuosity M. C. Heiber et al. Phys Rev Applied 8, 054043 (2017)
  19. www.tu-chemnitz.de/physik/OPKM [email protected] Tortuosity and Blend Ratio Tortuosity is increased when

    blend ratio decreases (from the perspective of the charge carrier in the „less material phase“)
  20. www.tu-chemnitz.de/physik/OPKM [email protected] Effect of Tortuosity on Mobility Negative field dependence

    is not inherent to blends! If disorder stays constant one can determine tortuosity differences between two morphologies
  21. www.tu-chemnitz.de/physik/OPKM [email protected] Field Dependent Mobility in Neat Films in unitless

    parameters µ0 = a2⌫0e , F0 = ea <latexit sha1_base64="Do0HLlSuc4daL6soq4VdeTGaNtY=">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</latexit> <latexit sha1_base64="Do0HLlSuc4daL6soq4VdeTGaNtY=">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</latexit> <latexit sha1_base64="Do0HLlSuc4daL6soq4VdeTGaNtY=">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</latexit> <latexit sha1_base64="Do0HLlSuc4daL6soq4VdeTGaNtY=">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</latexit>
  22. www.tu-chemnitz.de/physik/OPKM [email protected] Effect of Tortuosity on Normalised Mobility Low Tortuosity

    Medium Tortuosity High Tortuosity M. C. Heiber et al. Phys Rev Applied 8, 054043 (2017) Fit electric-field dependence to normalised Poole-Frenkel eqn µ µ0 = µ00 exp r F F0 ! <latexit sha1_base64="R1tPR+SFktRMBTHbbZbhJwfk62w=">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</latexit> <latexit sha1_base64="R1tPR+SFktRMBTHbbZbhJwfk62w=">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</latexit> <latexit sha1_base64="R1tPR+SFktRMBTHbbZbhJwfk62w=">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</latexit> <latexit sha1_base64="R1tPR+SFktRMBTHbbZbhJwfk62w=">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</latexit>
  23. www.tu-chemnitz.de/physik/OPKM [email protected] Normalised Poole-Frenkel Coefficient • PF coefficient β depends

    on disorder, temperature, and tortuosity; but not on domain size (sim not shown) • Could be used to estimate relative tortuosity changes in different films M. C. Heiber et al.
 Phys Rev Applied 8, 054043 (2017)
  24. www.tu-chemnitz.de/physik/OPKM [email protected] Some Conclusions How does the nanoscale morphology affect

    the charge carrier mobility? • tortuosity 
 = actual transport path / ideal transport path • anisotropic domains: higher average tortuosity • tortuosity increases for decreasing blend ratio • combination of high disorder & high tortuosity 
 → negative field dependence of mobility Same principle for neat materials with polymer chains or aggregates having (pretty) different „intramolecular“ and „intermolecular“ mobilities!