Electron and hole dynamics in dye-sensitized solar cells: Influencing factors and systematic trends

Nano Letters

Volumn 10, Issue 4, 2010, Pages 1238-1247

  Meng, Sheng ^a,b   Kaxiras, Efthimios ^b  

^a INSTITUTE OF PHYSICS   (China)

^b EPFL   (Switzerland)

Author keywords

Charge injection; Energy harvest; Solar cell; TDDFT; Ultrafast dynamics

Indexed keywords

ATOMIC LEVELS; BINDING GEOMETRIES; DYE ADSORPTION; DYE MOLECULE; DYE-SENSITIZED SOLAR CELL; ELECTRON AND HOLE DYNAMICS; ELECTRONIC CHARACTERISTICS; ELECTRONIC ENERGY LEVELS; ELECTRONS AND HOLES; HOLE RECOMBINATION; INFLUENCING FACTOR; INTERFACIAL DIPOLES; MOLECULAR SIZE; NANOCRYSTALLINE TIO; OXYGEN VACANCY DEFECTS; PHOTON EXCITATIONS; THERMAL FLUCTUATIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME EVOLUTIONS; TIO; TUNABLE PARAMETER; ULTRA-FAST DYNAMICS;

ADSORPTION; CHARGE INJECTION; COST REDUCTION; DEFECTS; DENSITY FUNCTIONAL THEORY; DYNAMICS; ELECTRONS; ENERGY HARVESTING; HARVESTING; OPEN CIRCUIT VOLTAGE; OXYGEN; OXYGEN VACANCIES; PHOTOELECTROCHEMICAL CELLS; POINT DEFECTS; SEMICONDUCTOR QUANTUM DOTS; SOLAR ENERGY; VACANCIES;

SOLAR CELLS;

COLORING AGENT; NANOPARTICLE; TITANIUM; TITANIUM DIOXIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; INSTRUMENTATION; NANOTECHNOLOGY; SEMICONDUCTOR; SOLAR ENERGY; SURFACE PROPERTY; TIME;

COLORING AGENTS; COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; NANOPARTICLES; NANOTECHNOLOGY; SEMICONDUCTORS; SOLAR ENERGY; SURFACE PROPERTIES; TIME FACTORS; TITANIUM;

EID: 77951061705     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl100442e     Document Type: Article

References (56)

1. O'Regan, B.; Grätzel, M. Nature 1991, 353, 737-740
2. Grätzel, M. J. Photochem. Photobiol., C 2003, 4, 145-153
3. Grätzel, M. Chem. Lett. 2005, 34, 8-13
4. Chapbell, W. M.; Jolley, K. W.; Wagner, P.; Wagner, K.; Walsh, P. J.; Gordon, K. C.; Schmidt-Mende, L.; Nazeeruddin, M. K.; Wang, Q.; Grätzel, M.; Officer, D. L. J. Phys. Chem. C 2007, 111, 11760-11762
5. Horiuchi, T.; Miura, H.; Uchida, S. Chem. Commun. 2003, 3036
6. Ito, S.; Zakeeruddin, S. M.; Humphry-Baker, R.; Liska, P.; Charvet, R.; Pascal, C.; Nazeeruddin, M. K.; Pechy, P.; Takata, M.; Miura, H.; Uchida, S.; Grätzel, M. Adv. Mater. 2006, 18, 1202-1205
7. Kim, S.; Lee, J. K.; Kang, S. O.; Ko, J.; Yum, J. H.; Fantacci, S.; De Angelis, F.; Di Censo, D.; Nazeeruddin, M. K.; Grätzel, M. J. Am. Chem. Soc. 2006, 128, 16701-16707
8. Hagberg, D. P.; Yum, J. H.; Lee, H. J.; De Angelis, F.; Marinado, T.; Karlsson, K. M.; Humphry-Baker, R.; Sun, Hagfeldt, A.; Grätzel, M.; Nazeeruddin, M. K. J. Am. Chem. Soc. 2008, 130, 6259-6266
9. Peet, J.; Kim, J. Y.; Coates, N. E.; Ma, W. L.; Moses, D.; Heeger, A. J.; Bazan, G. C. Nat. Mater. 2007, 6, 497-500
10. Haque, S. A.; Palomares, E.; Cho, B. M.; Green, A. N. M.; Hirata, N.; Klug, D. R.; Durrant, J. R. J. Am. Chem. Soc. 2005, 127, 3456-3462
11. Anderson, N. A.; Lian, T. Annu. Rev. Phys. Chem. 2005, 56, 491-519
12. Koops, S. E.; O'Regan, B. C.; Barnes, P. R. F.; Durrant, J. R. J. Am. Chem. Soc. 2009, 131, 4808-4818
13. Ernstorfer, R.; Gundlach, L.; Felber, S.; Storck, W.; Eichberger, R.; Willig, F. J. Phys. Chem. B 2006, 110, 25383-25391
14. Duncan, W. R.; Craig, C. F.; Prezhdo, O. V. J. Am. Chem. Soc. 2007, 129, 8528-8543
15. Gundlach, L.; Ernstorfer, R.; Willig, F. J. Phys. Chem. C 2007, 111, 13586-13594
16. Asbury, J. B.; Hao, E.; Wang, Y.; Lian, T. J. Phys. Chem. B 2000, 104, 11957-11964
17. Chang, C. W.; Luo, L.; Chou, C. K.; Lo, C. F.; Lin, C. Y.; Hung, C. S.; Lee, Y. P.; Diau, E. W. J. Phys. Chem. C 2009, 113, 11524-11531
18. Runge, E.; Gross, E. K. U. Phys. Rev. Lett. 1984, 52, 997
19. Yum, J. H.; Chen, P.; Grätzel, M.; Nazeeruddin, M. K. ChemSusChem 2008, 1, 699-707
20. Soler, J. M.; Artacho, E.; Gale, J. D.; Garcia, A.; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745-2779
21. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993-2006
22. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
23. Junquera, J.; Zimmer, M.; Ordejon, P.; Ghosez, Ph. Phys. Rev. B 2003, 67, 155327
24. Tsolakidis, A.; Kaxiras, E. J. Phys. Chem. A 2005, 109, 2373-2380
25. Meng, S.; Kaxiras, E. J. Chem. Phys. 2008, 129 054110
26. Dreuw, A.; Head-Gordon, M. J. Am. Chem. Soc. 2004, 126, 4007-4016
27. Levine, B. G.; Ko, C.; Quenneville, J.; Martinez, T. J. Mol. Phys. 2006, 104, 1039-1051
28. Burke, K.; Werschnik, J.; Gross, E. K. U. J. Chem. Phys. 2005, 123 062206
29. Rego, L. G. C.; Batista, V. S. J. Am. Chem. Soc. 2003, 125, 7989-7997
30. Duncan, W. R.; Prezhdo, O. V. Annu. Rev. Phys. Chem. 2007, 58, 143-184
31. Persson, P.; Lundqvist, M. J.; Ernstorfer, R.; Goddard III, W. A.; Willig, F. J. Chem. Theory Comput. 2006, 2, 441-451
32. De Angelis, F.; Fantacci, S.; Selloni, A.; Grätzel, M.; Nazeeruddin, M. K. Nano Lett. 2007, 7, 3189-3195
33. Meng, S.; Ren, J.; Kaxiras, E. Nano Lett. 2008, 8, 3266-3272
34. Law, M.; Greene, L. E.; Johnson, J. C.; Saykally, R.; Yang, P. Nat. Mater. 2005, 4, 455-459
35. Tan, B.; Wu, Y. Y. J. Phys. Chem. B 2006, 110, 15932-15938
36. Zhu, K.; Neale, N. R.; Miedaner, A.; Frank, A. J. Nano Lett. 2007, 7, 69-74
37. Feng, X.; Shankar, K.; Varghese, O. K.; Paulose, M.; Latempa, T. J.; Grimes, C. A. Nano Lett. 2008, 8, 3781-3786
38. Mor, G. K.; Varghese, O. K.; Paulose, M.; Shankar, K.; Grimes, C. A. Sol. Energy Mater. Sol. Cells 2006, 90, 2011-2075
39. Liu, C.; Yang, S. ACS Nano 2009, 3, 1025-1031
40. Berger, T.; Lana-Villarreal, T.; Monllor-Satoca, D.; Gomez, R. Chem. Phys. Lett. 2007, 447, 91-95
41. Chen, P.; Yum, J. H.; De Angelis, F.; Mosconi, E.; Fantacci, S.; Moon, S.-J.; Baker, R. H.; Ko, J.; Nazeeruddin, M. K.; Grätzel, M. Nano Lett. 2009, 9, 2487-2492
42. Tachibana, Y.; Moser, J. E.; Grätzel, M.; Klug, D. R.; Durrant, J. R. J. Phys. Chem. 1996, 100, 20056-20062
43. Ellingson, R. J.; Asbury, J. B.; Ferrere, S.; Ghosh, H. N.; Sprague, J. R.; Lian, T.; Nozik, A. J. J. Phys. Chem. B 1998, 102, 6455-6458
44. He, J.; Benko, G.; Korodi, F.; Polivka, T.; Lomoth, R.; Akermark, B.; Sun, L.; Hagfeldt, A.; Sundström, V. J. Am. Chem. Soc. 2002, 124, 4922-4932
45. Mozer, A. J.; Griffith, M. J.; Tsekouras, G.; Wagner, P.; Wallace, G. G.; Mori, S.; Sunahara, K.; Miyashita, M.; Earles, J. C.; Gordon, K. C.; Du, L.; Katoh, R.; Furube, A.; Officer, D. L. J. Am. Chem. Soc. 2009, 131, 15621-15623
46. Cherepy, N. J.; Smestad, G. P.; Gratzel, M.; Zhang, J. Z. J. Phys. Chem. B 1997, 101, 9342-9351
47. Huber, R.; Moser, J. E.; Grätzel, M.; Wachtveitl, J. J. Phys. Chem. B 2002, 106, 6494-6499
48. Schnadt, J.; Bruhwiler, P. A.; Patthey, L.; O'Shea, J. N.; Sodergren, S.; Odelius, M.; Ahuja, R.; Karis, O.; Bassler, M.; Persson, P.; Siegbahn, H.; Lunell, S.; Martensson, N. Nature 2002, 418, 620-623
49. Zimmermann, C.; Willig, F.; Ramakrishna, S.; Burfeindt, B.; Pettinger, B.; Eichberger, R.; Storck, W. J. Phys. Chem. B 2001, 105, 9245-9253
50. Hilgendorff, M.; Sundstrom, V. J. Phys. Chem. B 1998, 102, 10505-10514
51. Rehm, J. M.; McLendon, G. L.; Nagasawa, Y.; Yoshihara, K.; Moser, J.; Grätzel, M. J. Phys. Chem. 1996, 100, 9577-9578
52. Ghosh, H. N.; Asbury, J. B.; Lian, T. J. Phys. Chem. B 1998, 102, 6482-6486
53. Myllyperkio, P.; Manzoni, C.; Polli, D.; Cerullo, G.; Korppi-Tommola, J. J. Phys. Chem. C 2009, 113, 13985-13992
54. He, Y.; Dulub, O.; Cheng, H.; Selloni, A.; Diebold, U. Phys. Rev. Lett. 2009, 102, 106105
55. Di Valentin, C.; Pacchioni, G.; Selloni, A. Phys. Rev. Lett. 2006, 97, 166803
56. Desouter-Lecomte, M.; Lorquet, J. C. J. Chem. Phys. 1979, 71, 4391-4403