Beyond the adiabatic limit: Charge photogeneration in organic photovoltaic materials

Journal of Physical Chemistry Letters

Volumn 1, Issue 15, 2010, Pages 2255-2263

  Pensack, Ryan D ^a   Asbury, John B ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC LIMIT; BAND GAPS; CHARGE PHOTOGENERATION; CHARGE SEPARATIONS; COULOMBIC ATTRACTIONS; DEGREES OF FREEDOM; ELECTRON HOLE PAIRS; EXCESS ENERGY; EXCITONIC STATE; MINIMAL ENERGY; NON-ADIABATIC; NUCLEAR COORDINATES; ORGANIC PHOTOVOLTAICS; ORGANIC SOLAR CELL; PHONON MODE; STRONG COUPLING; THEORETICAL STUDY; THERMALIZATION;

ENERGY DISSIPATION; EXCITONS; QUANTUM OPTICS; SOLAR ENERGY;

SOLAR CELLS;

EID: 77955371030     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz1005225     Document Type: Article

References (74)

1. Thompson, B. C.; Frechet, J. M. J. Polymer-Fullerene Composite Solar Cells Angew. Chem., Int. Ed. 2008, 47, 58-77
2. Gunes, S.; Neugebauer, H.; Sariciftci, N. S. Conjugated Polymer-Based Organic Solar Cells Chem. Rev. 2007, 107, 1324-1338 (Pubitemid 46736541)
3. Gregg, B. A. The Photoconversion Mechanism of Excitonic Solar Cells Mater. Res. Soc. Bull. 2005, 30, 20-22
4. Forrest, S. R. The Limits to Organic Photovoltaic Cell Efficiency Mater. Res. Soc. Bull. 2005, 30, 28-32
5. Yang, F.; Forrest, S. R. Photocurrent Generation in Nanostructured Organic Solar Cells ACS Nano 2008, 2, 1022-1032
6. Wuerfel, P. Photovoltaic Principles and Organic Solar Cells Chimia 2007, 61, 770-774
7. Soci, C.; Hwang, I.-W.; Yang, C.; Moses, D.; Zhu, Z.; Waller, D.; Gaudiana, R.; Brabec, C. J.; Heeger, A. J. Charge Carrier Photogeneration and Transport Properties of a Novel Low-Bandgap Conjugated Polymer for Organic Photovoltaics Proc. SPIE 2006, 6334, 63340D(11)
8. Muhlbacher, D.; Scharber, M.; Morana, M.; Zhu, Z.; Waller, D.; Gaudana, R.; Brabec, C. High Photovoltaic Performance of a Low-Bandgap Polymer Adv. Mater. 2006, 18, 2884-2889
9. Lee, S. K.; Cho, N. S.; Kwak, J. H.; Lim, K. S.; Shim, H.-K.; Hwang, D.-H.; Brabec, C. J. New Low Band-Gap Alternating Polyfluorene Derivatives for Photovoltaic Cells Thin Solid Films 2006, 511, 157-162
10. Thomas, C. A.; Zong, K.; Abboud, K. A.; Steel, P. J.; Reynolds, J. R. Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers J. Am. Chem. Soc. 2004, 126, 16440-16450
11. Kim, Y.-G.; Thompson, B. C.; Ananthakrishan, N.; Padmanaban, G.; Ramakrishnan, S.; Reynolds, J. R. Variable Band Gap Conjugated Polymers for Optoelectronic and Redox Applications J. Mater. Res. 2005, 20, 3188-3198
12. Thompson, B. C.; Kim, Y.-G.; McCarley, T. D.; Reynolds, J. R. Soluble Narrow Band Gap and Blue Propylenedioxythiophene-Cyanovinylene Polymers as Multifunctional Materials for Photovoltaic and Electrochromic Applications J. Am. Chem. Soc. 2006, 128, 12714-12725
13. Campos, L. M.; Tontcheva, A.; Gunes, S.; Sonmez, G.; Neugebauer, H.; Sariciftci, N. S.; Wudl, F. Extended Photocurrent Spectrum of a Low Band Gap Polymer in a Bulk Heterojunction Solar Cell Chem. Mater. 2005, 17, 4031-4033
14. Kroon, R.; Lenes, M.; Hummelen, J. C.; Blom, P. W. M.; de Boer, B. Small Bandgap Polymers for Organic Solar Cells (Polymer Material Development in the Last 5 Years) Polym. Rev. 2008, 48, 531-582
15. Zhang, F.; Bijleveld, J.; Perzon, E.; Tvingstedt, K.; Barrau, S.; Inganas, O.; Andersson, M. R. High Photovoltage Acheived in Low Band Gap Polymer Solar Cells by Adjusting Energy Levels of a Polymer with the LUMOs of Fullerene Derivatives J. Mater. Chem. 2008, 18, 5468-5474
16. Liang, Y.; Feng, D.; Guo, J.; Szarko, J. M.; Ray, C.; Chen, L. X.; Yu, L. Regioregular Oligomer and Polymer Containing Thieno[3,4]thiophene Moiety for Efficient Organic Solar Cells Macromolecules 2009, 42, 1091-1098
17. Chen, H.-Y.; Hou, J.; Zhang, S.; Liang, Y.; Yang, G.; Yang, Y.; Yu, L.; Wu, Y.; Li, G. Polymer Solar Cells with Enhanced Open-Circuit Voltage and Efficiency Nat. Photonics 2009, 3, 649-653
18. Hou, J.; Chen, H.-Y.; Zhang, S.; Chen, R. I.; Yang, Y.; Wu, Y.; Li, G. Synthesis of a Low Band Gap Polymer and Its Application in Highly Efficient Polymer Solar Cells J. Am. Chem. Soc. 2009, 131, 15586-15587
19. Park, S.; Roy, A.; Beaupre, S.; Cho, S.; Coates, N.; Moon, J. S.; Moses, D.; Leclerc, M.; Lee, K.; Heeger, A. J. Bulk Heterojunction Solar Cell with Internal Quantum Efficiency Approaching 100% Nat. Photonics 2009, 3, 297-303
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
21. Clarke, T.; Ballantyne, A.; Jamieson, F.; Brabec, C.; Nelson, J.; Durrant, J. Transient Absorption Spectroscopy of Charge Photogeneration Yields and Lifetimes in a Low Bandgap Polymer/Fullerene Film Chem. Commun. 2009, 89-91
22. Veldman, D.; Ipek, O.; Meskers, S. C. J.; Sweelssen, J.; Koetse, M. M.; Veenstra, S. C.; Kroon, J. M.; van Bavel, S. S.; 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
23. Mandoc, M. M.; Veurman, W.; Sweelssen, J.; Koetse, M. M.; Blom, P. W. M. Origin of the Efficiency Improvement in All-Polymer Solar Cells Upon Annealing Appl. Phys. Lett. 2007, 91, 073518(3)
24. Pope, M.; Swenberg, C. E. Electronic Processes in Organic Crystals and Polymers; Oxford University Press: New York, 1999.
25. Bredas, J.-L.; Norton, J. E.; Cornil, J.; Coropceanu, V. Molecular Understanding of Organic Solar Cells: The Challenges Acc. Chem. Res. 2009, 42, 1691-1699
26. Clarke, T. M.; Durrant, J. R. Charge Photogeneration in Organic Solar Cells. Chem. Rev. 2010, 110, doi: 10.1021/cr900271s.
27. Frenkel, J. On the Transformation of Light into Heat in Solids. I Phys. Rev. 1931, 37, 17-44
28. Wannier, G. H. The Structure of Electronic Excitation Levels in Insulating Crystals Phys. Rev. 1937, 52, 191-197
29. Rothberg, L. Photophysics of Conjugated Polymers. In Seminconducting Polymers; Hadziioannou, G.; Malliaras, G. G., Eds.; Wiley-VCH: Weinheim, Germany, 2007; Vol. 1; pp 179 - 204.
30. Muntwiler, M.; Yang, Q.; Tisdale, W. A.; Zhu, X.-Y. Coulomb Barrier for Charge Separation at an Organic Semiconductor Interface Phys. Rev. Lett. 2008, 101, 196403(4)
31. Peumans, P.; Forrest, S. R. Separation of Geminate Charge-Pairs at Donor-Acceptor Interfaces in Disordered Solids Chem. Phys. Lett. 2004, 398, 27-31
32. 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(4)
33. Drori, T.; Sheng, C.-X.; Ndobe, A.; Singh, S.; Holt, J.; Vardeny, Z. V. Below-Gap Excitation of π-Conjugated Polymer-Fullerene Blends: Implications for Bulk Organic Heterojunction Solar Cells Phys. Rev. Lett. 2008, 101, 037401(4)
34. Loi, M. A.; Toffanin, S.; Muccini, M.; Forster, M.; Scherf, U.; Scharber, M. Charge Transfer Excitons in Bulk Heterojunctions of a polyfluorene Copolymer and a Fullerene Derivative Adv. Funct. Mater. 2007, 17, 2111-2116
35. Tvingstedt, K.; Vandewal, K.; Gadisa, A.; Zhang, F.; Manca, J.; Inganas, O. Electroliminescence from Charge Transfer States in Polymer Solar Cells J. Am. Chem. Soc. 2009, 131, 11819-11824
36. Vandewal, K.; Gadisa, A.; Oosterbaan, W. D.; Bertho, S.; Banishoeib, F.; van Severen, I.; Lutsen, L.; Cleij, T. J.; Vanderzande, D.; Manca, J. V. The Relation Between Open-Circuit Voltage and the Onset of Photocurrent Generation by Charge-Transfer Absorption in Polymer:Fullerene Bulk Heterojunction Solar Cells Adv. Funct. Mater. 2008, 18, 2064-2070
37. Hallermann, M.; Haneder, S.; Da Como, E. Charge-Transfer States in Conjugated Polymer/Fullerene Blends: Below-Gap Weakly Bound Excitons for Polymer Photovoltaics Appl. Phys. Lett. 2008, 93, 053307(3)
38. Goris, L.; Poruba, A.; Hodakova, L.; Vanecek, M.; Haenen, K.; Nesladek, M.; Wagner, P.; Vanderzande, D.; De Schepper, L.; Manca, J. V. Observation of the Subgap Optical Absorption in Polymer-Fullerene Blend Solar Cells Appl. Phys. Lett. 2006, 88, 052113(3)
39. Hsu, J. W. P.; Yan, M.; Jedju, T. M.; Rothberg, L. J. Assignment of the Picosecond Photoinduced Absorption in Phenylene Vinylene Polymers Phys. Rev. B 1994, 49, 712-715
40. Rothberg, L. J.; Yan, M.; Papadimitrakopoulos, F.; Galvin, M. E.; Kwock, E. W.; Miller, T. M. Photophysics of Phenylenevinylene Polymers Synth. Met. 1996, 80, 41-58
41. Cuppoletti, C. M.; Rothberg, L. J. Persistent Photoluminescence in Conjugated Polymers Synth. Met. 2003, 139, 867-871
42. Schweitzer, B.; Arkhipov, V. I.; Bassler, H. Field-Induced Delayed Photoluminescence in a Conjugated Polymer Chem. Phys. Lett. 1999, 304, 365-370
43. Hertel, D.; Romanovskii, Y. V.; Schweitzer, B.; Scherf, U.; Bassler, H. The Origin of the Delayed Emission in Films of a Ladder-Type Poly(para-phenylene) Synth. Met. 2001, 116, 139-143
44. Vardeny, Z. V.; Wei, X. Studies of Photoexcitations in Conducting Polymers by the Absorption-Detected Magnetic Resonance Technique Synth. Met. 1993, 54, 99-111 (Pubitemid 23667460)
45. Swanson, L. S.; Lane, P. A.; Shinar, J. Polarons and Triplet Polaronic Excitons in Poly(Paraphenylenevinylene) (PPV) and Substituted PPV: An Optically Detected Magnetic Resonance Study Phys. Rev. B 1991, 44, 10617-10621
46. Gregg, B. A.; Chen, S.-G.; Cormier, R. A. Coulomb Forces and Doping in Organic Semiconductors Chem. Mater. 2004, 16, 4586-4599
47. Veldman, D.; Meskers, S. C. J.; Janssen, R. A. J. The Energy of Charge-Transfer States in Electron Donor-Acceptor Blends: Insight into the Energy Losses in Organic Solar Cells Adv. Funct. Mater. 2009, 19, 1939-1948
48. Onsager, L. Initial Recombination of Ions Phys. Rev. 1938, 54, 554-557
49. Barbour, L. W.; Hegadorn, M.; Asbury, J. B. Watching Electrons Move in Real Time: Ultrafast Infrared Spectroscopy of a Polymer Blend Photovoltaic Material J. Am. Chem. Soc. 2007, 129, 15884-15894
50. Pensack, R. D.; Banyas, K. M.; Barbour, L. W.; Hegadorn, M.; Asbury, J. B. Ultrafast Vibrational Spectroscopy of Charge Carrier Dynamics in Organic Photovoltaic Materials Phys. Chem. Chem. Phys. 2009, 11, 2575-2591
51. Pensack, R. D.; Asbury, J. B. Barrierless Free Carrier Formation in an Organic Photovoltaic Material Measured with Ultrafast Vibrational Spectroscopy J. Am. Chem. Soc. 2009, 131, 15986-15987
52. Pensack, R. D.; Banyas, K. M.; Asbury, J. B. Vibrational Energy Mediates Charge Separation in Organic Photovoltaic Materials. IEEE J. Sel. Top. Quantum Electron. 2010, in press.
53. Gulbinas, V.; Hertel, D.; Yartsev, A.; Sundstrom, V. Charge Carrier Photogeneration and Recombination in Ladder-Type Poly(para-phenylene): Interplay Between Impurities and External Electric Field Phys. Rev. B 2007, 76, 235203(7)
54. Muller, J. G.; Lupton, J. M.; Feldmann, J.; Lemmer, U.; Scharber, M. C.; Sariciftci, N. S.; Brabec, C. J.; Scherf, U. Ultrafast Dynamics of Charge Carrier Photogeneration and Geminate Recombination in Conjugated Polymer:Fullerene Solar Cells Phys. Rev. B 2005, 72, 195208(10)
55. Westenhoff, S.; Howard, I. A.; Hodgkiss, J. M.; Kirov, K. R.; Bronstein, H. A.; Williams, C. K.; Greenham, N. C.; Friend, R. H. Charge Recombination in Organic Photovoltaic Devices with High Open-Circuit Voltages J. Am. Chem. Soc. 2008, 130, 13653-13658
56. Piris, J.; Dykstra, T. E.; Bakulin, A. A.; van Loosdrecht, P. H. M.; Knulst, W.; Trinh, M. T.; Schins, J. M.; Siebbeles, L. D. A. Photogeneration and Ultrafast Dynamics of Excitons and Charges in P3HT/PCBM Blends J. Phys. Chem. C 2009, 113, 14500-14506
57. Cho, M. Vibrational Solvatochromism and Electrochromism: Coarse-Grained Models and Their Relationships J. Chem. Phys. 2009, 130, 094505(15)
58. Park, E. S.; Boxer, S. G. Origins of the Sensitivity of Molecular Vibrations to Electric Fields: Carbonyl and Nitrosyl Stretches in Model Compounds and Proteins J. Phys. Chem. B 2002, 106, 5800-5806
59. Barbour, L. W.; Pensack, R. D.; Hegadorn, M.; Arzhantsev, S.; Asbury, J. B. Excitation Transport and Charge Separation in an Organic Photovoltaic Material: Watching Excitations Diffuse to Interfaces J. Phys. Chem. C 2008, 112, 3926-3934
60. Pensack, R. D.; Banyas, K. M.; Asbury, J. B. Charge Trapping in Organic Photovoltaic Materials Examined with Time Resolved Vibrational Spectroscopy J. Phys. Chem. C 2010, 114, 5344-5350
61. Kaake, L. G.; Barbara, P. F.; Zhu, X.-Y. Intrinsic Charge Trapping in Organic and Polymeric Semiconductors: A Physical Chemistry Perspective J. Phys. Chem. Lett. 2010, 1, 628-635
62. Zhu, X.-Y.; Kahn, A. Electronic Structure and Dynamics at Organic Donor/Acceptor Interfaces. MRS Bull. 2010, 35, ASAP.
63. Bounds, P. J.; Siebrand, W. Charge-Transfer Excitons in Anthracene Crystals and Their Role in Optical Charge Carrier Generation Chem. Phys. Lett. 1980, 75, 414-418
64. Lanzani, G.; Cerullo, G.; Brabec, C.; Sariciftci, N. S. Time Domain Investigation of the Intrachain Dynamics of a Prototypical Light-Emitting Conjugated Polymer Phys. Rev. Lett. 2003, 90, 047402(4)
65. Tamura, H.; Ramon, J. G. S.; Bittner, E. R.; Burghardt, I. Phonon-Driven Exciton Dissociation at Donor-Acceptor Polymer Heterojunctions: Direct versus Bridge-Mediated Vibronic Coupling Pathways J. Phys. Chem. B 2008, 112, 495-506
66. Tamura, H.; Bittner, E. R.; Burghardt, I. Exciton Dissociation at Donor-Acceptor Polymer Heterojunctions: Quantum Nonadiabatic Dynamics and Effective-Mode Analysis J. Chem. Phys. 2007, 126, 021103(5)
67. Tretiak, S.; Saxena, A.; Martin, R. L.; Bishop, A. R. Conformational Dynamics of Photoexcited Conjugated Molecules Phys. Rev. Lett. 2002, 89, 097402(4)
68. Hwang, I.-W.; Moses, D.; Heeger, A. J. Photoinduced Carrier Generation in P3HT/PCBM Bulk Heterojunction Materials J. Phys. Chem. C 2008, 112, 4350-4354
69. Kilina, S.; Tretiak, S. Excitonic and Vibrational Properties of Single-Walled Semiconducting Carbon Nanotubes Adv. Funct. Mater. 2007, 17, 3405-3420
70. Fernandez-Alberti, S.; Kleiman, V. D.; Tretiak, S.; Roitberg, A. E. Nonadiabatic Molecular Dynamics Simulations of the Energy Transfer Between Building Blocks in a Phenylene Ethynylene Dendrimer J. Phys. Chem. A 2009, 113, 7535-7542
71. 2 Rationalized by Ab Initio Time-Domain Density Functional Theory J. Am. Chem. Soc. 2008, 130, 9756-9762
72. Prezhdo, O. V.; Duncan, W. R.; Prezhdo, V. V. Dynamics of the Photoexcited Electron at the Chromophore-Semiconductor Interface Acc. Chem. Res. 2008, 41, 339-348
73. Prezhdo, O. V. Photoinduced Dynamics in Semiconductor Quantum Dots: Insights from Time-Domain Ab Initio Studies Acc. Chem. Res. 2009, 2009, 2005-2016
74. Hutchison, G. R.; Ratner, M. A.; Marks, T. J. Hopping Transport in Conductive Heterocyclic Oligomers: Reorganization Energies and Substituent Effects J. Am. Chem. Soc. 2005, 127, 2339-2350