Nanocarbon-based photovoltaics

ACS Nano

Volumn 6, Issue 10, 2012, Pages 8896-8903

  Bernardi, Marco ^a   Lohrman, Jessica ^b   Kumar, Priyank V ^a   Kirkeminde, Alec ^b   Ferralis, Nicola ^a   Grossman, Jeffrey C ^a   Ren, Shenqiang ^b  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b UNIVERSITY OF KANSAS   (United States)

Author keywords

ab initio materials design; carbon; photodegradation; photovoltaics

Indexed keywords

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); ACTIVE LAYER; BAND ALIGNMENTS; CARBON MATERIAL; CARBON NANOMATERIALS; CARBON-BASED; MATERIALS DESIGN; PHOTO-STABILITY; PHOTOSTABLE; PHOTOVOLTAIC SOLAR CELLS; PHOTOVOLTAICS; POLYMER SOLAR CELLS; POLYMER-BASED SOLAR CELLS; POWER CONVERSION EFFICIENCIES; REDUCED GRAPHENE OXIDES; SCHOTTKY BARRIERS; SOLUTION PROCESSABLE;

CALCULATIONS; CARBON; CONVERSION EFFICIENCY; DENSITY FUNCTIONAL THEORY; PHOTODEGRADATION; PHOTOVOLTAIC CELLS; SCHOTTKY BARRIER DIODES; SINGLE-WALLED CARBON NANOTUBES (SWCN); SOLAR CELLS;

NANOSTRUCTURED MATERIALS;

CARBON NANOTUBE;

ARTICLE; CHEMISTRY; EQUIPMENT DESIGN; EQUIPMENT FAILURE ANALYSIS; PARTICLE SIZE; POWER SUPPLY; SOLAR ENERGY; ULTRASTRUCTURE;

ELECTRIC POWER SUPPLIES; EQUIPMENT DESIGN; EQUIPMENT FAILURE ANALYSIS; NANOTUBES, CARBON; PARTICLE SIZE; SOLAR ENERGY;

EID: 84867814065     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn302893p     Document Type: Article

References (40)

1. SunShot Vision Study, Chapter 1 (2012). http://www1.eere.energy.gov/ solar/sunshot/vision-study.html. See also Nat. Mater. 2012, 11, 178-179.
2. Ginley, D.; Green, M. A.; Collins, R. Solar Energy Conversion Toward 1 Terawatt MRS Bull. 2008, 33, 355-364 (Pubitemid 351500750)
3. Shockley, W; Queisser, H. J. Detailed Balance Limit of Efficiency of p-n Junction Solar Cells J. Appl. Phys. 1961, 32, 510-519
4. Mayer, A. C.; Scully, S. R.; Hardin, B. E.; Rowell, M. W.; McGehee, M. D. Polymer-Based Solar Cells Mater. Today 2007, 10, 28-33 (Pubitemid 47552905)
5. Moule', A. J. Power from Plastic Curr. Opin. Solid State Mater. Sci. 2010, 14, 123-130
6. Sun, Y.; Welch, G. C.; Leong, W. L.; Takacs, C. J.; Bazan, G. C.; Heeger, A. J. Solution-Processed Small-Molecule Solar Cells with 6.7% Efficiency Nat. Mater. 2011, 11, 44-48
7. Koleilat, G. I.; Levina, L.; Shukla, H.; Myrskog, S. H.; Hinds, S.; Pattantyus-Abraham, A. G.; Sargent, E. H. Efficient, Stable Infrared Photovoltaics Based on Solution-Cast Colloidal Quantum Dots ACS Nano 2008, 2, 833-840
8. Zhu, H.; Wei, J.; Wang, K.; Wu, D. Applications of Carbon Materials in Photovoltaic Solar Cells Sol. Energy Mater. Sol. Cells 2009, 93, 1461-1470
9. Cox, P. A. The Elements: Their Origin, Abundance, and Distribution; Oxford University Press: New York, NY, 1989. See also http://www.webelements. com/periodicity/abundance-crust/
10. Iijima, S. Helical Microtubules of Graphitic Carbon Nature 1991, 354, 56-58 (Pubitemid 21896780)
11. Saito, R.; Dresselhaus, G.; Dresselhaus, M. S. Physical Properties of Carbon Nanotubes; Imperial: London, 1998.
12. Kroto, H. W.; Heath, J. R.; O'Brien, S. C.; Curl, R. F.; Smalley, R. E. C60: Buckminsterfullerene Nature 1985, 318, 162-163
13. Geim, A. K.; Novoselov, K. S. The Rise of Graphene Nat. Mater. 2007, 6, 183-191 (Pubitemid 46353764)
14. Geim, A. Graphene: Status and Prospects Science 2009, 324, 1530-1534
15. Avouris, P.; Martel, R. Progress in Carbon Nanotube Electronics and Photonics MRS Bull. 2010, 35, 306-313
16. Ren, S.; Bernardi, M.; Lunt, R. R.; Bulovic, V.; Grossman, J. C.; Gradecak, S. Toward Efficient Carbon Nanotube/P3HT Solar Cells: Active Layer Morphology, Electrical and Optical Properties Nano Lett. 2011, 11, 5316-5321
17. Bindl, D. J.; Safron, N. S.; Arnold, M. S. Dissociating Excitons Photogenerated in Semiconducting Carbon Nanotubes at Polymeric Photovoltaic Heterojunction Interfaces ACS Nano 2010, 4, 5657-5664
18. Bindl, D. J.; Wu, M.-Y.; Prehn, F. C.; Arnold, M. S. Efficiently Harvesting Excitons from Electronic Type-Controlled Semiconducting Carbon Nanotubes Films Nano Lett. 2011, 11, 455-460
19. 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
20. 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
21. 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
22. Loh, K. P.; Bao, Q.; Eda, G.; Chhowalla, M. Graphene Oxide as a Chemically Tunable Platform for Optical Applications Nat. Chem. 2010, 2, 1015-1024
23. Wienk, M. M.; Kroon, J. M.; Verhees, W. J. H.; Knol, J.; Hummelen, J. C.; van Hal, P. A.; Janssen, R. A. J. Efficient Methano[70]fullerene/MDMO-PPV Bulk Heterojunction Photovoltaic Cells Angew. Chem., Int. Ed. 2003, 42, 3371-3375 (Pubitemid 36975330)
24. Kymakis, E.; Amaratunga, G. A. J. In Organic Photovoltaics; Sun, S.-S.; Sariciftci, N. S., Eds.; CRC Press: Boca Raton, FL, 2005.
25. Martin, R. Electronic Structure: Basic Theory and Practical Methods; Cambridge University Press: Cambridge, UK, 2004.
26. 61-Butyric Acid Methyl Ester in Gas and Solid Phases J. Appl. Phys. 2008, 104, 023710
27. Hayashi, H.; Lightcap, I. V.; Tsujimoto, M.; Takano, M.; Umeyama, T.; Kamat, P. V.; Imahori, H. Electron Transfer Cascade by Organic/Inorganic Ternary Composites of Porphyrin, Zinc Oxide Nanoparticles, and Reduced Graphene Oxide on a Thin Oxide Electrode that Exhibits Efficient Photocurrent Generation J. Am. Chem. Soc. 2011, 133, 7684-7687
28. Peters, C. H.; Sachs-Quintana, I. T.; Mateker, W. R.; Huemueller, T.; Rivnay, J.; Noriega, R.; Beiley, Z. M.; Hoke, E. T.; Salleo, A.; McGehee, M. D. The Mechanism of Burn-in Loss in a High Efficiency Polymer Solar Cell Adv. Mater. 2012, 24, 663-668
29. Reese, M. O.; Nardes, A. M.; Rupert, B. L.; Larsen, R. E.; Olson, D. C.; Lloyd, M. T.; Shaheen, S. E.; Ginley, D. S.; Rumbles, G.; Kopidakis, N. Photoinduced Degradation of Polymer and Polymer-Fullerene Active Layers: Experiment and Theory Adv. Funct. Mater. 2010, 20, 3476-3483
30. Wurfel, P. Physics of Solar Cells, 2 nd ed.; Wiley-VCH: Weinheim, Germany, 2009.
31. The AM1.5G spectrum was taken from the NREL web-site: http://rredc.nrel.gov/solar/spectra/am1.5 and integrated with the trapezoid rule (accessed July 20, 2012).
32. Scharber, M. C.; Muhlbacher, D.; Koppe, M.; Denk, P.; Waldauf, C.; Heeger, A. J.; Brabec, C. J. Design Rules for Donors in Bulk-Heterojunction Solar Cells-Towards 10% Energy Conversion Efficiency Adv. Mater. 2006, 18, 789-794
33. Lunt, R. R.; Osedach, T. O.; Brown, P. R.; Rowehl, J. A.; Bulovic, V. Practical Roadmap and Limits to Nanostructured Photovoltaics Adv. Mater. 2011, 23, 5712-5726
34. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54, 11169-11186
35. Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, G. L.; Cococcioni, M.; Dabo, I. et al. QUANTUM ESPRESSO: a Modular and Open-Source Software Project for Quantum Simulations of Materials J. Phys.: Condens. Matter 2009, 21, 395502
36. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 (Pubitemid 126631804)
37. Vanderbilt, D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism Phys. Rev. B 1990, 41, 7892-7895
38. Blochl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
39. Paci, J. T.; Belytschko, T.; Schatz, G. C. Computational Studies of the Structure, Behavior upon Heating, and Mechanical Properties of Graphite Oxide J Phys. Chem. C 2007, 111, 18099-18111
40. Shan, B.; Cho, K. Ab-Initio Study of Schottky Barriers at Metal-Nanotube Contacts Phys. Rev. B 2004, 70, 233405