Electronic structure and transition energies in polymer-fullerene bulk heterojunctions

Journal of Physical Chemistry C

Volumn 118, Issue 38, 2014, Pages 21873-21883

  Street, Robert A ^a   Hawks, Steven A ^b   Khlyabich, Petr P ^d   Li, Gang ^b   Schwartz, Benjamin J ^c   Thompson, Barry C ^d   Yang, Yang ^b  

^a PALO ALTO RESEARCH CENTER   (United States)

^b Engineering IV   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ELECTRONIC STRUCTURE; ENERGY GAP; EXCITONS; FULLERENES; GROUND STATE; LIGHT ABSORPTION; OPEN CIRCUIT VOLTAGE; POLYMERS; SEMICONDUCTOR QUANTUM WELLS; SOLAR CELLS; UNCERTAINTY ANALYSIS;

BULK HETEROJUNCTION; BULK HETEROJUNCTION ORGANIC SOLAR CELLS; CHARGE GENERATION; DIFFERENT MECHANISMS; ENERGY DIFFERENCES; EXCITON THERMALIZATION; PHOTOCURRENT SPECTROSCOPY; POLYMER-FULLERENE;

HETEROJUNCTIONS;

EID: 84949116703     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp507097h     Document Type: Article

References (39)

1. Brabec, C. J.; Gowrisanker, S.; Halls, J. J. M.; Laird, D.; Jia, S.; Williams, S. P. Polymer-Fullerene Bulk-Heterojunction Solar Cells Adv. Mater. 2010, 22, 3839-3856
2. Dou, L.; You, J.; Hong, Z.; Xu, Z.; Li, G.; Street, R. A.; Yang, Y. 25th Anniversary Article: A Decade of Organic/Polymeric Photovoltaic Research Adv. Mater. 2013, 25, 6642-6671
3. Kirchartz, T.; Pieters, B. E.; Kirkpatrick, J.; Rau, U.; Nelson, J. Recombination via Tail States in Polythiophene: Fullerene Solar Cells Phys. Rev. B 2011, 83, 115209
4. 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
5. Street, R. A. Localized State Distribution and Its Effect on Recombination in Organic Solar Cells Phys. Rev. B 2011, 84, 75208
6. Deibel, C.; Mack, D.; Gorenflot, J.; Schöll, A.; Krause, S.; Reinert, F.; Rauh, D.; Dyakonov, V. Energetics of Excited States in the Conjugated Polymer poly(3-Hexylthiophene) Phys. Rev. B 2010, 81, 85202
7. Brown, P. J.; Thomas, D. S.; Köhler, A.; Wilson, J. S.; Kim, J.-S.; Ramsdale, C. M.; Sirringhaus, H.; Friend, R. H. Effect of Interchain Interactions on the Absorption and Emission of Poly(3-Hexylthiophene) Phys. Rev. B 2003, 67, 64203
8. Fowler, W. B. Physics of Color Centers; Academic Press: New York, NY, 1968.
9. Hayes, W.; Stoneham, A. M. Defects and Defect Processes in Nonmetallic Solids; Courier Dover Publications: New York, NY, 2004.
10. Huang, K.; Rhys, A. Theory of Light Absorption and Non-Radiative Transitions in F-Centres Proc. R. Soc. London, Ser. A 1950, 204, 406-423
11. Spano, F. C.; Clark, J.; Silva, C.; Friend, R. H. Determining Exciton Coherence from the Photoluminescence Spectral Line Shape in poly(3-Hexylthiophene) Thin Films J. Chem. Phys. 2009, 130, 074904
12. Wei, H.; Scudiero, L.; Eilers, H. Infrared and Photoelectron Spectroscopy Study of Vapor Phase Deposited Poly (3-Hexylthiophene) Appl. Surf. Sci. 2009, 255, 8593-8597
13. Chen, T. A.; Rieke, R. D. The First Regioregular Head-to-Tail poly(3-Hexylthiophene-2,5-Diyl) and a Regiorandom Isopolymer: Nickel versus Palladium Catalysis of 2(5)-Bromo-5(2)-(bromozincio)-3-Hexylthiophene Polymerization J. Am. Chem. Soc. 1992, 114, 10087-10088
14. Blouin, N.; Michaud, A.; Leclerc, M. A Low-Bandgap Poly(2,7-Carbazole) Derivative for Use in High-Performance Solar Cells Adv. Mater. 2007, 19, 2295-2300
15. Park, S. H.; Roy, A.; Beaupre, 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, 297-303
16. Liang, Y.; Xu, Z.; Xia, J.; Tsai, S.-T.; Wu, Y.; Li, G.; Ray, C.; Yu, L. For the Bright Future-Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4% Adv. Mater. 2010, 22, E135-E138
17. Dou, L.; You, J.; Yang, J.; Chen, C.-C.; He, Y.; Murase, S.; Moriarty, T.; Emery, K.; Li, G.; Yang, Y. Tandem Polymer Solar Cells Featuring a Spectrally Matched Low-Bandgap Polymer Nat. Photonics 2012, 6, 180-185
18. Khlyabich, P. P.; Burkhart, B.; Thompson, B. C. Compositional Dependence of the Open-Circuit Voltage in Ternary Blend Bulk Heterojunction Solar Cells Based on Two Donor Polymers J. Am. Chem. Soc. 2012, 134, 9074-9077
19. Subramaniyan, S.; Xin, H.; Kim, F. S.; Shoaee, S.; Durrant, J. R.; Jenekhe, S. A. Effects of Side Chains on Thiazolothiazole-Based Copolymer Semiconductors for High Performance Solar Cells Adv. Energy Mater. 2011, 1, 854-860
20. Hoke, E. T.; Vandewal, K.; Bartelt, J. A.; Mateker, W. R.; Douglas, J. D.; Noriega, R.; Graham, K. R.; Fréchet, J. M. J.; Salleo, A.; McGehee, M. D. Recombination in Polymer:Fullerene Solar Cells with Open-Circuit Voltages Approaching and Exceeding 1.0 V Adv. Energy Mater. 2012, 3, 220-230
21. Hummelen, J. C.; Knight, B. W.; LePeq, F.; Wudl, F.; Yao, J.; Wilkins, C. L. Preparation and Characterization of Fulleroid and Methanofullerene Derivatives J. Org. Chem. 1995, 60, 532-538
22. Street, R. A.; Schoendorf, M.; Roy, A.; Lee, J. H. Interface State Recombination in Organic Solar Cells Phys. Rev. B 2010, 81, 205307
23. Goris, L.; Poruba, A.; Hodákova, L.; Vaněček, M.; Haenen, K.; Nesládek, 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
24. Bhattacharya, J.; Mayer, R. W.; Samiee, M.; Dalal, V. L. Photo-Induced Changes in Fundamental Properties of Organic Solar Cells Appl. Phys. Lett. 2012, 100, 193501
25. Lee, J.; Vandewal, K.; Yost, S. R.; Bahlke, M. E.; Goris, L.; Baldo, M. A.; Manca, J. V.; Van Voorhis, T. Charge Transfer State Versus Hot Exciton Dissociation in Polymer-Fullerene Blended Solar Cells J. Am. Chem. Soc. 2010, 132, 11878-11880
26. Youngkyoo, K.; Cook, S.; Tuladhar, S. M.; Choulis, S. A.; Nelson, J.; Durrant, J. R.; Bradley, D. D. C.; Giles, M.; McCulloch, I.; Chang-sik, H. A Strong Regioregularity Effect in Self-Organizing Conjugated Polymer Films and High-Efficiency Polythiophene:fullerene Solar Cells Nat. Mater. 2006, 5, 197-203
27. Street, R. A.; Song, K. W.; Northrup, J. E.; Cowan, S. Photoconductivity Measurements of the Electronic Structure of Organic Solar Cells Phys. Rev. B 2011, 83, 165207
28. Vandewal, K.; Tvingstedt, K.; Gadisa, A.; Inganas, O.; Manca, J. V. Relating the Open-Circuit Voltage to Interface Molecular Properties of Donor:acceptor Bulk Heterojunction Solar Cells Phys. Rev. B 2010, 81, 125204
29. 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
30. Spano, F. C. The Spectral Signatures of Frenkel Polarons in H-and J-Aggregates Acc. Chem. Res. 2009, 43, 429-439
31. Alvarado, S. F.; Seidler, P. F.; Lidzey, D. G.; Bradley, D. D. C. Direct Determination of the Exciton Binding Energy of Conjugated Polymers Using a Scanning Tunneling Microscope Phys. Rev. Lett. 1998, 81, 1082-1085
32. Xin, H.; Subramaniyan, S.; Kwon, T.-W.; Shoaee, S.; Durrant, J. R.; Jenekhe, S. A. Enhanced Open Circuit Voltage and Efficiency of Donor-Acceptor Copolymer Solar Cells by Using Indene-C60 Bisadduct Chem. Mater. 2012, 24, 1995-2001
33. Miller, N. C.; Sweetnam, S.; Hoke, E. T.; Gysel, R.; Miller, C. E.; Bartelt, J. A.; Xie, X.; Toney, M. F.; McGehee, M. D. Molecular Packing and Solar Cell Performance in Blends of Polymers with a Bisadduct Fullerene Nano Lett. 2012, 12, 1566-1570
34. Nayak, P. K.; Bisquert, J.; Cahen, D. Assessing Possibilities and Limits for Solar Cells Adv. Mater. 2011, 23, 2870-2876
35. Scharber, M. C.; Wuhlbacher, D.; Koppe, M.; Denk, P.; Waldauf, C.; Heeger, A. J.; Brabec, C. L. Design Rules for Donors in Bulk-Heterojunction Solar Cells-Towards 10% Energy-Conversion Efficiency Adv. Mater. 2006, 18, 789-794
36. Manor, A.; Katz, E. A. Open-Circuit Voltage of Organic Photovoltaics: Implications of the Generalized Einstein Relation for Disordered Semiconductors Sol. Energy Mater. Sol. Cells 2012, 97, 132-138
37. Hawks, S. A.; Li, G.; Yang, Y.; Street, R. A. Band tail recombination in polymer-fullerene organic solar cells J. Appl. Phys. 2014, 116, 074503
38. Raimondo, L.; Silvestri, L.; Borghesi, A.; Tavazzi, S. Exciton-Lattice Phonon Coupling in Organic Semiconductor Crystals beyond the Static Disorder J. Phys. Chem. C 2013, 117, 26248-26254
39. Faist, M. A.; Kirchartz, T.; Gong, W.; Ashraf, R. S.; McCulloch, I.; de Mello, J. C.; Ekins-Daukes, N. J.; Bradley, D. D. C.; Nelson, J. Competition between the Charge Transfer State and the Singlet States of Donor or Acceptor Limiting the Efficiency in Polymer:Fullerene Solar Cells J. Am. Chem. Soc. 2012, 134, 685-692