Carbon nanotube chirality determines efficiency of electron transfer to fullerene in all-carbon photovoltaics

Journal of Physical Chemistry Letters

Volumn 4, Issue 17, 2013, Pages 2914-2918

  Isborn, Christine M ^a   Tang, Chun ^b   Martini, Ashlie ^b   Johnson, Erin R ^a   Otero De La Roza, Alberto ^a   Tung, Vincent C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Merced   (United States)

Author keywords

carbon nanotubes; charge transfer; chirality; exciton dissociation; photovoltaics

Indexed keywords

CONDUCTION BAND ENERGY LEVELS; DENSITY OF STATE; ELECTRON TRANSFER; EXCITON DISSOCIATION; NANOTUBE CHIRALITIES; PHOTOVOLTAICS; RELATIVE ENERGIES; SINGLEWALLED CARBON NANOTUBE (SWCNT);

CARBON NANOTUBES; CHARGE TRANSFER; CHIRALITY; EFFICIENCY; SINGLE-WALLED CARBON NANOTUBES (SWCN);

FULLERENES;

EID: 84883805452     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz401369s     Document Type: Article

References (40)

1. Graetzel, M.; Janssen, R. A. J.; Mitzi, D. B.; Sargent, E. H. Materials Interface Engineering for Solution-Processed Photovoltaics Nature 2012, 488, 304-312
2. Nelson, J. Polymer:Fullerene Bulk Heterojunction Solar Cells Mater. Today 2011, 14, 462-470
3. 60 Photodetectors Nano Lett. 2009, 9, 3354-3358
4. Jain, R. M.; Howden, R.; Tvrdy, K.; Shimizu, S.; Hilmer, A. J.; McNicholas, T. P.; Gleason, K. K.; Strano, M. S. Polymer-Free Near-Infrared Photovoltaics with Single Chirality (6,5) Semiconducting Carbon Nanotube Active Layers Adv. Mater. 2012, 24, 4436-4439
5. Ramuz, M. P.; Vosgueritchian, M.; Wei, P.; Wang, C.; Gao, Y.; Wu, Y.; Chen, Y.; Bao, Z. Evaluation of Solution-Processable Carbon-Based Electrodes for All-Carbon Solar Cells ACS Nano 2012, 6, 10384-10395
6. Ren, S.; Bernardi, M.; Lunt, R. R.; Bulovic, V.; Grossman, J. C.; Gradečak, S. Toward Efficient Carbon Nanotube/P3HT Solar Cells: Active Layer Morphology, Electrical, and Optical Properties Nano Lett. 2011, 11, 5316-5321
7. Tung, V. C.; Huang, J.-H.; Kim, J.; Smith, A. J.; Chu, C.-W.; Huang, J. Towards Solution Processed All-Carbon Solar Cells: A Perspective Energy Environ. Sci. 2012, 5, 7810-7818
8. Tung, V. C.; Huang, J.-H.; Tevis, I.; Kim, F.; Kim, J.; Chu, C.-W.; Stupp, S. I.; Huang, J. Surfactant-Free Water-Processable Photoconductive All-Carbon Composite J. Am. Chem. Soc. 2011, 133, 4940-4947
9. Bernardi, M.; Lohrman, J.; Kumar, P. V.; Kirkeminde, A.; Ferralis, N.; Grossman, J. C.; Ren, S. Nanocarbon-Based Photovoltaics ACS Nano 2012, 6, 8896-8903
10. Umeyama, T.; Imahori, H. Photofunctional Hybrid Nanocarbon Materials J. Phys. Chem. C 2012, 117, 3195-3209
11. Umeyama, T.; Baek, J.; Tezuka, N.; Morita, K.; Imahori, H. Incorporation of Graphene to Fullerene Clusters and Fullerene-Nanotube Composites and Their Photoelectrochemical Properties ECS J. Solid State Sci. Technol. 2013, 2, M3001-M3007
12. Guldi, D. M.; Costa, R. D. Nanocarbon Hybrids: The Paradigm of Nanoscale Self-Ordering/Self-Assembling by Means of Charge Transfer/Doping Interactions J. Phys. Chem. Lett. 2013, 4, 1489-1501
13. 60-Based Electroactive Organofullerenes Chem. Rev. 1998, 98, 2527-2548
14. Echegoyen, L.; Echegoyen, L. E. Electrochemistry of Fullerenes and Their Derivatives Acc. Chem. Res. 1998, 31, 593-601
15. Guldi, D. M. Fullerene-porphyrin Architectures; Photosynthetic Antenna and Reaction Center Models Chem. Soc. Rev. 2002, 31, 22-36
16. Bottari, G.; de la Torre, G.; Guldi, D. M.; Torres, T. Covalent and Noncovalent Phthalocyanine-Carbon Nanostructure Systems: Synthesis, Photoinduced Electron Transfer, and Application to Molecular Photovoltaics Chem. Rev. 2010, 110, 6768-6816
17. Sariciftci, N. S.; Smilowitz, L.; Heeger, A. J.; Wudl, F. Photoinduced Electron Transfer from a Conducting Polymer to Buckminsterfullerene Science 1992, 258, 1474-1476
18. Imahori, H. Creation of Fullerene-Based Artificial Photosynthetic Systems Bull. Chem. Soc. Jpn. 2007, 80, 621-636
19. Imahori, H.; Umeyama, T. Donor-Acceptor Nanoarchitecture on Semiconducting Electrodes for Solar Energy Conversion J. Phys. Chem. C 2009, 113, 9029-9039
20. Beaujuge, P. M.; Fréchet, J. M. J. Molecular Design and Ordering Effects in π-Functional Materials for Transistor and Solar Cell Applications J. Am. Chem. Soc. 2011, 133, 20009-20029
21. Cai, W.; Zhu, Y.; Li, X.; Piner, R. D.; Ruoff, R. S. Large Area Few-layer Graphene/Graphite Films as Transparent Thin Conducting Electrodes App. Phys. Lett. 2009, 95, 123115-123113
22. Li, X.; Wang, X.; Zhang, L.; Lee, S.; Dai, H. Chemically Derived, Ultrasmooth Graphene Nanoribbon Semiconductors Science 2008, 319, 1229-1232
23. Kosynkin, D. V.; Higginbotham, A. L.; Sinitskii, A.; Lomeda, J. R.; Dimiev, A.; Price, B. K.; Tour, J. M. Longitudinal Unzipping of Carbon Nanotubes to Form Graphene Nanoribbons Nature 2009, 458, 872-876
24. Tang, C.; Oppenheim, T.; Tung, V. C.; Martini, A. Structure-Stability Relationships for Graphene-Wrapped Fullerene-Coated Carbon Nanotubes Carbon 2013, 61, 458-466
25. Li, S.-S.; Tu, K.-H.; Lin, C.-C.; Chen, C.-W.; Chhowalla, M. Solution-Processable Graphene Oxide as an Efficient Hole Transport Layer in Polymer Solar Cells ACS Nano 2010, 4, 3169-3174
26. Gao, Y.; Yip, H.-L.; Hau, S. K.; O'Malley, K. M.; Cho, N. C.; Chen, H.; Jen, A. K. Y. Anode Modification of Inverted Polymer Solar Cells Using Graphene Oxide Appl. Phys. Lett. 2010, 97, 203306-203303
27. Tung, V. C.; Kim, J.; Huang, J. Graphene Oxide:Single-Walled Carbon Nanotube-Based Interfacial Layer for All-Solution-Processed Multijunction Solar Cells in Both Regular and Inverted Geometries Adv. Energy Mater. 2012, 2, 299-303
28. Tanaka, Y.; Hirana, Y.; Niidome, Y.; Kato, K.; Saito, S.; Nakashima, N. Experimentally Determined Redox Potentials of Individual (n, m) Single-Walled Carbon Nanotubes Angew. Chem., Int. Ed. 2009, 48, 7655-7659
29. Stuart, S. J.; Tutein, A. B.; Harrison, J. A. A Reactive Potential for Hydrocarbons with Intermolecular Interactions J. Chem. Phys. 2000, 112, 6472-6486
30. Plimpton, S. Fast Parallel Algorithms for Short-Range Molecular Dynamics J. Comput. Phys. 1995, 117, 1-19
31. Otero-de-la-Roza, A.; Johnson, E. R. Van der Waals Interactions in Solids Using the Exchange-Hole Dipole Moment Model J. Chem. Phys. 2012, 136, 174109-174108
32. Otero-de-la-Roza, A.; Johnson, E. R. Non-covalent Interactions and Thermochemistry Using XDM-Corrected Hybrid and Range-Separated Hybrid Density Functionals J. Chem. Phys. 2013, 138, 204109-204113
33. Ufimtsev, I. S.; Martinez, T. J. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation J. Chem. Theory Comput. 2008, 4, 222-231
34. Ufimtsev, I. S.; Martinez, T. J. Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation J. Chem. Theory Comput. 2009, 5, 1004-1015
35. Ufimtsev, I. S.; Martinez, T. J. Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics J. Chem. Theory Comput. 2009, 5, 2619-2628
36. Isborn, C. M.; Luehr, N.; Ufimtsev, I. S.; Martinez, T. J. Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units J. Chem. Theory Comput. 2011, 7, 1814-1823
37. Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A 1988, 38, 3098-3100
38. Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
39. Matsuda, Y.; Tahir-Kheli, J.; Goddard, W. A. Definitive Band Gaps for Single-Wall Carbon Nanotubes J. Phys. Chem. Lett. 2010, 1, 2946-2950
40. Vydrov, O. A.; Scuseria, G. E. Assessment of a Long-Range Corrected Hybrid Functional J. Chem. Phys. 2006, 125, 234109