Separating charges at organic interfaces: Effects of disorder, hot states, and electric field

Journal of Physical Chemistry Letters

Volumn 4, Issue 10, 2013, Pages 1707-1717

  Nayak, Pabitra K ^a   Narasimhan, K L ^b,c   Cahen, David ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b TATA INSTITUTE OF FUNDAMENTAL RESEARCH   (India)

^c INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE SEPARATIONS; CURRENT EFFICIENCY; EXTERNAL ELECTRIC FIELD; GEMINATE RECOMBINATION; MECHANISM OF FORMATION; ORGANIC INTERFACES; PHOTOGENERATED CHARGE CARRIERS; PHOTOINDUCED CHARGE TRANSFER;

CHARGE CARRIERS; CHARGE TRANSFER; ELECTRIC FIELDS; INTERFACES (MATERIALS); NANOSTRUCTURED MATERIALS; OPTOELECTRONIC DEVICES; PHOTOEXCITATION; SEPARATION; SOLAR CELLS;

INTERFACE STATES;

EID: 84878095773     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz4002339     Document Type: Article

References (51)

1. Brédas, J.-L.; Norton, J. E.; Cornil, J.; Coropceanu, V. Molecular Understanding of Organic Solar Cells: The Challenges Acc. Chem. Res. 2009, 42, 1691-1699
2. Hill, I. G.; Kahn, A.; Soos, Z. G.; Pascal, R. A., Jr. Charge-Separation Energy in Films of π-Conjugated Organic Molecules Chem. Phys. Lett. 2000, 327, 181-188
3. Nayak, P. K.; Periasamy, N. Calculation of Electron Affinity, Ionization Potential, Transport Gap, Optical Band Gap and Exciton Binding Energy of Organic Solids Using "Solvation" Model and DFT Org. Electron. 2009, 10, 1396-1400
4. Park, S. H.; Roy, A.; Beaupré, S.; Cho, S.; Coates, N.; Moon, J. S.; Moses, D.; Leclerc, M.; Lee, K.; Heeger, A. J. Bulk Heterojunction Solar Cells With Internal Quantum Efficiency Approaching 100% Nat. Photonics 2009, 3, 297-302
5. Peumans, P.; Forrest, S. R. Separation of Geminate Charge-Pairs at Donor-Acceptor Interfaces in Disordered Solids Chem. Phys. Lett. 2004, 398, 27-31
6. Pensack, R. D.; Asbury, J. B. Beyond the Adiabatic Limit: Charge Photogeneration in Organic Photovoltaic Materials J. Phys. Chem. Lett. 2010, 1, 2255-2263
7. Nayak, P. K.; Garcia-Belmonte, G.; Kahn, A.; Bisquert, J.; Cahen, D. Photovoltaic Efficiency Limits and Material Disorder Energy Environ. Sci. 2012, 5, 6022-6039
8. Deibel, C. http://blog.disorderedmatter.eu/ (accessed Dec 27, 2012); definitions of this and other concepts appear in the Supporting Information of this Perspective.
9. Dyakonov, V.; Frankevich, E. On the Role Played by Polaron Pairs in Photophysical Processes in Semiconducting Polymers Chem. Phys. 1998, 227, 203-217
10. Clarke, T. M.; Durrant, J. R. Charge Photogeneration in Organic Solar Cells Chem. Rev. 2010, 110, 6736-6767
11. Gregg, B. A. Entropy of Charge Separation in Organic Photovoltaic Cells: The Benefit of Higher Dimensionality J. Phys. Chem. Lett. 2011, 2, 3013-3015
12. Onsager, L. Initial Recombination of Ions Phys. Rev. 1938, 54, 554-557
13. Braun, C. L. Electric Field Assisted Dissociation of Charge Transfer States as a Mechanism of Photocarrier Production J. Chem. Phys. 1984, 80, 4157-4161
14. Langevin, P. Recombinaison et Mobilités des Ions dans les Gaz Ann. Chim. Phys. 1903, 28, 433-530
15. Street, R. A. Carrier Mobility, Structural Order, and Solar Cell Efficiency of Organic Heterojunction Devices Appl. Phys. Lett. 2008, 93, 133308
16. Street, R. A.; Schoendorf, M.; Roy, A.; Lee, J. H. Interface State Recombination in Organic Solar Cells Phys. Rev. B 2010, 81, 205307
17. Lee, J.; Vandewal, K.; Yost, S. R.; Bahlke, M. E.; Goris, L.; Baldo, M. A.; Manca, J. V.; Voorhis, T. V. Charge Transfer State versus Hot Exciton Dissociation in Polymer-Fullerene Blended Solar Cells J. Am. Chem. Soc. 2010, 132, 11878-11880
18. Herrmann, D.; Niesar, S.; Scharsich, C.; Köhler, A.; Stutzmann, M.; Riedle, E. Role of Structural Order and Excess Energy on Ultrafast Free Charge Generation in Hybrid Polythiophene/Si Photovoltaics Probed in Real Time by Near-Infrared Broadband Transient Absorption J. Am. Chem. Soc. 2011, 133, 18220-18233
19. Clarke, T. M.; Ballantyne, A. M.; Nelson, J.; Bradley, D. D. C.; Durrant, J. R. Free Energy Control of Charge Photogeneration in Polythiophene/Fullerene Solar Cells: The Influence of Thermal Annealing on P3HT/PCBM Blends Adv. Funct. Mater. 2008, 18, 4029-4035
20. Ohkita, H.; Cook, S.; Astuti, Y.; Duffy, W.; Tierney, S.; Zhang, W.; Heeney, M.; McCulloch, I.; Nelson, J.; Bradley, D. D. C. Charge Carrier Formation in Polythiophene/Fullerene Blend Films Studied by Transient Absorption Spectroscopy J. Am. Chem. Soc. 2008, 130, 3030-3042 (Pubitemid 351455974)
21. Bakulin, A. A.; Rao, A.; Pavelyev, V. G.; Van Loosdrecht, P. H. M.; Pshenichnikov, M. S.; Niedzialek, D.; Cornil, J.; Beljonne, D.; Friend, R. H. The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors Science 2012, 335, 1340-1344
22. Dimitrov, S. D.; Bakulin, A. A.; Nielsen, C. B.; Schroeder, B. C.; Du, J.; Bronstein, H.; McCulloch, I.; Friend, R. H.; Durrant, J. R. On the Energetic Dependence of Charge Separation in Low-Band-Gap Polymer/Fullerene Blends J. Am. Chem. Soc. 2012, 134, 18189-18192
23. Grancini, G.; Maiuri, M.; Fazzi, D.; Petrozza, A.; Egelhaaf, H.-J.; Brida, D.; Cerullo, G.; Lanzani, G. Hot Exciton Dissociation in Polymer Solar Cells Nat. Mater. 2013, 12, 29-33
24. Jailaubekov, A. E.; Willard, A. P.; Tritsch, J. R.; Chan, W.-L.; Sai, N.; Gearba, R.; Kaake, L. G.; Williams, K. J.; Leung, K.; Rossky, P. J. Hot Charge-Transfer Excitons Set the Time Limit for Charge Separation at Donor/Acceptor Interfaces in Organic Photovoltaics Nat. Mater. 2013, 12, 66-73
25. 3 Nanocrystalline Photoanodes: Indication for Electron Injection from Higher Excited Dye States J. Phys. Chem. B 2001, 105, 6347-6352 (Pubitemid 35339058)
26. Murthy, D. H. K.; Gao, M.; Vermeulen, M. J. W.; Siebbeles, L. D. A.; Savenije, T. J. Mechanism of Mobile Charge Carrier Generation in Blends of Conjugated Polymers and Fullerenes: Significance of Charge Delocalization and Excess Free Energy J. Phys. Chem. C 2012, 116, 9214-9220
27. Kaake, L. G.; Jasieniak, J. J.; Bakus, R. C.; Welch, G. C.; Moses, D.; Bazan, G. C.; Heeger, A. J. Photoinduced Charge Generation in a Molecular Bulk Heterojunction Material J. Am. Chem. Soc. 2012, 134, 19828-19838
28. Morteani, A. C.; Sreearunothai, P.; Herz, L. M.; Friend, R. H.; Silva, C. Exciton Regeneration at Polymeric Semiconductor Heterojunctions Phys. Rev. Lett. 2004, 92, 247402
29. Howard, I. A.; Mauer, R.; Meister, M.; Laquai, F. Effect of Morphology on Ultrafast Free Carrier Generation in Polythiophene:Fullerene Organic Solar Cells J. Am. Chem. Soc. 2010, 132, 14866-14876
30. Clark, J.; Silva, C.; Friend, R. H.; Spano, F. C. Role of Intermolecular Coupling in the Photophysics of Disordered Organic Semiconductors: Aggregate Emission in Regioregular Polythiophene Phys. Rev. Lett. 2007, 98, 206406
31. Mauer, R.; Howard, I. A.; Laquai, F. Effect of Nongeminate Recombination on Fill Factor in Polythiophene/Methanofullerene Organic Solar Cells J. Phys. Chem. Lett. 2010, 1, 3500-3505
32. Marsh, R. A.; Hodgkiss, J. M.; Friend, R. H. Direct Measurement of Electric Field-Assisted Charge Separation in Polymer:Fullerene Photovoltaic Diodes Adv. Mater. 2010, 22, 3672-3676
33. Lee, J. K.; Ma, W. L.; Brabec, C. J.; Yuen, J.; Moon, J. S.; Kim, J. Y.; Lee, K.; Bazan, G. C.; Heeger, A. J. Processing Additives for Improved Efficiency from Bulk Heterojunction Solar Cells J. Am. Chem. Soc. 2008, 130, 3619-3623 (Pubitemid 351456066)
34. Street, R. A.; Krakaris, A.; Cowan, S. R. Recombination Through Different Types of Localized States in Organic Solar Cells Adv. Funct. Mater. 2012, 22, 4608-4619
35. Etzold, F.; Howard, I. A.; Mauer, R.; Meister, M.; Kim, T.-D.; Lee, K.-S.; Baek, N. S.; Laquai, F. Ultrafast Exciton Dissociation Followed by Nongeminate Charge Recombination in PCDTBT:PCBM Photovoltaic Blends J. Am. Chem. Soc. 2011, 133, 9469-9479
36. Street, R. A.; Cowan, S.; Heeger, A. J. Experimental Test for Geminate Recombination Applied to Organic Solar Cells Phys. Rev. B 2010, 82, 121301
37. Tvingstedt, K.; Vandewal, K.; Gadisa, A.; Zhang, F.; Manca, J.; Inganäs, O. Electroluminescence from Charge Transfer States in Polymer Solar Cells J. Am. Chem. Soc. 2009, 131, 11819-11824
38. Xue, B.; Vaughan, B.; Poh, C.-H.; Burke, K. B.; Thomsen, L.; Stapleton, A.; Zhou, X.; Bryant, G. W.; Belcher, W.; Dastoor, P. C. Vertical Stratification and Interfacial Structure in P3HT:PCBM Organic Solar Cells J. Phys. Chem. C 2010, 114, 15797-15805
39. Nayak, P. K.; Agarwal, N.; Periasamy, N.; Patankar, M. P.; Narasimhan, K. L. Pure Exciplex Electroluminescence in Blended Film of Small Organic Molecules Synth. Met. 2010, 160, 722-727
40. Ali, F.; Periasamy, N.; Patankar, M. P.; Narasimhan, K. L. Photoluminescence Quenching and Photoconductivity in Devices Using 3,6-Diaryl- N -hexylcarbazole J. Phys. Chem. C 2011, 116, 1298-1306
41. Ali, F.; Periasamy, N.; Patankar, M. P.; Narasimhan, K. L. Integrated Organic Blue LED and Visible-Blind UV Photodetector J. Phys. Chem. C 2011, 115, 2462-2469
42. Matsumoto, N.; Adachi, C. Exciplex Formations at the HTL/Alq3 Interface in an Organic Light-Emitting Diode: Influence of the Electron-Hole Recombination Zone and Electric Field J. Phys. Chem. C 2010, 114, 4652-4658
43. Matsumoto, N.; Nishiyama, M.; Adachi, C. Exciplex Formations between Tris(8-hydoxyquinolate)aluminum and Hole Transport Materials and Their Photoluminescence and Electroluminescence Characteristics J. Phys. Chem. C 2008, 112, 7735-7741
44. Credgington, D.; Jamieson, F. C.; Walker, B.; Nguyen, T.-Q.; Durrant, J. R. Quantification of Geminate and Non-Geminate Recombination Losses within a Solution-Processed Small-Molecule Bulk Heterojunction Solar Cell Adv. Mater. 2012, 24, 2135-2141
45. Veldman, D.; Ǐpek, O.; Meskers, S. C. J.; Sweelssen, J.; Koetse, M. M.; Veenstra, S. C.; Kroon, J. M.; Bavel, S. S.; van Loos, J.; Janssen, R. A. J. Compositional and Electric Field Dependence of the Dissociation of Charge Transfer Excitons in Alternating Polyfluorene Copolymer/Fullerene Blends J. Am. Chem. Soc. 2008, 130, 7721-7735 (Pubitemid 351842136)
46. Gonzalez-Rabade, A.; Morteani, A. C.; Friend, R. H. Correlation of Heterojunction Luminescence Quenching and Photocurrent in Polymer-Blend Photovoltaic Diodes Adv. Mater. 2009, 21, 3924-3927
47. Inal, S.; Schubert, M.; Sellinger, A.; Neher, D. The Relationship between the Electric Field-Induced Dissociation of Charge Transfer Excitons and the Photocurrent in Small Molecular/Polymeric Solar Cells J. Phys. Chem. Lett. 2010, 1, 982-986
48. Tvingstedt, K.; Vandewal, K.; Zhang, F.; Inganäs, O. On the Dissociation Efficiency of Charge Transfer Excitons and Frenkel Excitons in Organic Solar Cells: A Luminescence Quenching Study J. Phys. Chem. C 2010, 114, 21824-21832
49. Cox, P. A. Transition Metal Oxides: An Introduction to Their Electronic Structure and Properties; Oxford University Press: New York, 2010.
50. Kera, S.; Yamane, H.; Ueno, N. First-Principles Measurements of Charge Mobility in Organic Semiconductors: Valence Hole-Vibration Coupling in Organic Ultrathin Films Prog. Surf. Sci. 2009, 84, 135-154
51. Coropceanu, V.; Cornil, J.; Da Silva Filho, D. A.; Olivier, Y.; Silbey, R.; Brédas, J.-L. Charge Transport in Organic Semiconductors Chem. Rev. 2007, 107, 926-952 (Pubitemid 46736532)