Quantum dynamics of ultrafast charge transfer at an oligothiophene- fullerene heterojunction

Journal of Chemical Physics

Volumn 137, Issue 22, 2012, Pages

  Tamura, Hiroyuki ^a   Martinazzo, Rocco ^b   Ruckenbauer, Matthias ^c   Burghardt, Irene ^c  

^a TOHOKU UNIVERSITY   (Japan)

^b UNIVERSITY OF MILAN   (Italy)

^c GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE SEPARATIONS; CHARGE TRANSFER PROCESS; DIABATIC COUPLINGS; ELECTRON PHONON COUPLINGS; ELECTRON TRANSFER PROCESS; ELECTRONIC COHERENCE; NON-ADIABATIC; OLIGOTHIOPHENES; PHONON MODE; QUANTUM DYNAMICS; TIME-DEPENDENT; ULTRA-FAST; VIBRONIC COUPLING;

DYNAMICS; ELECTRON CORRELATIONS; ELECTRON-PHONON INTERACTIONS; ELECTRONIC STRUCTURE; FULLERENES; HETEROJUNCTIONS; QUANTUM THEORY; SPECTRAL DENSITY;

CHARGE TRANSFER;

FULLERENE DERIVATIVE; POLYMER; POLYTHIOPHENE; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON TRANSPORT; KINETICS; QUANTUM THEORY;

ELECTRON TRANSPORT; FULLERENES; KINETICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; POLYMERS; QUANTUM THEORY; THIOPHENES;

EID: 84871242635     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4751486     Document Type: Article

References (56)

1. J. J. M. Halls, J. Cornil, D. A. dos Santos, R. Silbey, D. H. Hwang, A. B. Holmes, J. L. Brédas, and R. H. Friend, Phys. Rev. B 60, 5721 (1999). 10.1103/PhysRevB.60.5721
2. J. L. Brédas, D. Beljonne, V. Cropceanu, and J. Cornil, Chem. Rev. 104, 4971 (2004). 10.1021/cr040084k
3. J. Yu, D. Hu, and P. F. Barbara, Science 289, 1327 (2000). 10.1126/science.289.5483.1327
4. V. Cropceanu, J. Cornil, D. A. da Silva Filho, Y. Olivier, R. Silbey, and J.-L. Brédas, Chem. Rev. 107, 926 (2007). 10.1021/cr050140x
5. S. Günes, H. Neugebauer, and N. S. Sariciftci, Chem. Rev. 107, 1324 (2007). 10.1021/cr050149z
6. G. Yu, J. Gao, J. C. Hummelen, F. Wudl, and A. J. Heeger, Science 270, 1789 (1995). 10.1126/science.270.5243.1789
7. P. Peumans, S. Uchida, and S. R. Forrest, Nature (London) 425, 158 (2003). 10.1038/nature01949
8. J. J. M. Halls, C. A. Walsh, N. C. Greenham, E. A. Marseglia, R. H. Friend, S. C. Moratti, and A. B. Holmes, Nature (London) 376, 498 (1995). 10.1038/376498a0
9. V. I. Arkhipov, E. V. Emelianova, and H. Bässler, Phys. Rev. Lett. 82, 1321 (1999). 10.1103/PhysRevLett.82.1321
10. A. C. Morteani, R. H. Friend, and C. Silva, in Organic Light-Emitting Devices, edited by, K. Müllen, and, U. Scherf, (Wiley VCH, 2006), p. 35.
11. A. C. Morteani, A. S. Dhoot, J. S. Kim, C. Silva, N. C. Greenham, C. Murphy, E. Moons, S. Cina, J. H. Burroughes, and R. H. Friend, Adv. Mater. 15, 1708 (2003). 10.1002/adma.200305618
12. H. Lee, Y.-C. Cheng, and G. Fleming, Science 316, 1462 (2007). 10.1126/science.1142188
13. E. Collini and G. D. Scholes, Science 323, 369 (2009). 10.1126/science.1164016
14. I. Hwang and G. D. Scholes, Chem. Mater. 23, 610 (2011). 10.1021/cm102360x
15. D. Beljonne, J. Cornil, L. Muccioli, C. Zannoni, J.-L. Brédas, and F. Castet, Chem. Mater. 23, 591 (2011). 10.1021/cm1023426
16. Y. Kanai and J. C. Grossman, Nano Lett. 7, 1967 (2007). 10.1021/nl0707095
17. B. F. Habenicht, H. Kamisaka, K. Yamashita, and O. V. Prezhdo, Nano Lett. 7, 3260 (2007). 10.1021/nl0710699
18. O. V. Prezhdo, W. R. Duncan, and V. V. Prezhdo, Acc. Chem. Res. 41, 339 (2008). 10.1021/ar700122b
19. T. Nelson, S. Fernandez-Alberti, V. Chernyak, A. E. Roitberg, and S. Tretiak, J. Phys. Chem. B 115, 5402 (2011). 10.1021/jp109522g
20. J. Clark, T. Nelson, S. Tretiak, G. Cirmi, and G. Lanzani, Nat. Phys. 8, 225 (2012). 10.1038/nphys2210
21. T. Liu and A. Troisi, J. Phys. Chem. C 115, 2406 (2011). 10.1021/jp109130y
22. M. Hultell and S. Stafström, Phys. Rev. B 75, 104304 (2007). 10.1103/PhysRevB.75.104304
23. I. Burghardt, E. R. Bittner, H. Tamura, A. Pereverzev, and J. G. S. Ramon, Energy Transfer Dynamics in Biomaterial Systems, Springer Series in Chemical Physics Vol. 93, edited by, I. Burghardt, V. May, D. A. Micha, and, E. R. Bittner, (Springer, 2009), p. 183.
24. H. Tamura, J. Ramon, E. R. Bittner, and I. Burghardt, J. Phys. Chem. B 112, 495 (2008). 10.1021/jp077270p
25. H. Tamura, J. Ramon, E. R. Bittner, and I. Burghardt, Phys. Rev. Lett. 100, 107402 (2008). 10.1103/PhysRevLett.100.107402
26. N. S. Sariciftci, L. Smilowitz, A. J. Heeger, and F. Wudl, Science 258, 1474 (1992). 10.1126/science.258.5087.1474
27. C. J. Brabec, G. Zerza, G. Cerullo, S. De Silvestri, S. Luzzati, J. C. Hummelen, and S. Sariciftci, Chem. Phys. Lett. 340, 232 (2001). 10.1016/S0009-2614(01)00431-6
28. S. De, T. Kesti, M. Maiti, F. Zhang, O. Inganäs, A. Yartsev, T. Pascher, and V Sundström, Chem. Phys. 350, 14 (2008). 10.1016/j.chemphys. 2007.11.018
29. P. Parkinson, J. Lloyd-Hughes, M. B. Johnston, and L. M. Herz, Phys. Rev. B 78, 115321 (2008). 10.1103/PhysRevB.78.115321
30. R. D. Pensack, K. M. Banyas, L. W. Barbour, M. Hegadorn, and J. B. Asbury, Phys. Chem. Chem. Phys. 11, 2575 (2009). 10.1039/b817113k
31. R. D. Pensack and J. B. Asbury, J. Phys. Chem. Lett. 1, 2255 (2010). 10.1021/jz1005225
32. R. D. Pensack, K. M. Banyas, and J. B. Asbury, J. Phys. Chem. B 114, 12242 (2010). 10.1021/jp105772y
33. M. Tong, N. E. Coates, D. Moses, A. J. Heeger, S. Beaupré, and M. Leclerc, Phys. Rev. B 81, 125210 (2010). 10.1103/PhysRevB.81.125210
34. H. Tamura, I. Burghardt, and M. Tsukada, J. Phys. Chem. C 115, 10205 (2011). 10.1021/jp203174e
35. J. E. Subotnik, R. J. Cave, R. P. Steele, and N. Shenvi, J. Chem. Phys. 130, 234102 (2009). 10.1063/1.3148777
36. H. Köppel, W. Domcke, and L. S. Cederbaum, Adv. Chem. Phys. 57, 59 (1984). 10.1002/9780470142813.ch2
37. H. Köppel, W. Domcke, and L. S. Cederbaum, in Conical Intersections, edited by, W. Domcke, D. R. Yarkony, and, H. Köppel, (World Scientific, New Jersey, 2004), Vol. 15, p. 323.
38. M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000). 10.1016/S0370-1573(99)00047-2
39. Y. Towada, T. Tsuneda, S. Yanagisawa, Y. Yanai, and K. A. Hirao, J. Chem. Phys. 120, 8425 (2004). 10.1063/1.1688752
40. W. H. Green Jr., S. M. Gorun, G. Fitzgerald, P. W. Fowler, A. Ceulemans, and B. C. Titeca, J. Phys. Chem. 100, 14892 (1996). 10.1021/jp960689n
41. H. Imahori, N. V. Tkachenko, V. Vehmanen, K. Tamaki, H. Lemmetyinen, Y. Sakata, and S. Fukuzumi, J. Phys. Chem. A 105, 1750 (2001). 10.1021/jp003207n
42. R. A. Marcus, Rev. Mod. Phys. 65, 599 (1993). 10.1103/RevModPhys.65.599
43. R. Martinazzo, K. H. Hughes, F. Martelli, and I. Burghardt, Chem. Phys. 377, 21 (2010). 10.1016/j.chemphys.2010.08.010
44. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990). 10.1016/0009-2614(90)87014-I
45. U. Manthe, H.-D. Meyer, and L. S. Cederbaum, J. Chem. Phys. 97, 3199 (1992). 10.1063/1.463007
46. G. A. Worth, M. H. Beck, A. Jäckle, and H. D. Meyer, The MCTDH package, version 8.2 (2002);
47. H.-D. Meyer, version 8.3 (2002), see http://www.pci.uni-heidelberg.de/tc/ usr/mctdh/.
48. S. Mukamel, Principles of Nonlinear Optical Spectroscopy (Oxford University Press, New York/Oxford, 1995).
49. G. Grancini, D. Polli, D. Fazzi, J. Cabanillas-Gonzalez, G. Cerullo, and G. Lanzani, J. Phys. Chem. Lett. 2, 1099 (2011). 10.1021/jz200389b
50. G. C. Walker, E. Akesson, A. E. Johnson, N. E. Levinger, and P. F. Barbara, J. Phys. Chem. 96, 3728 (1992). 10.1021/j100188a032
51. H. Tamura, J. Chem. Phys. 130, 214705 (2009). 10.1063/1.3146903
52. K. H. Hughes, C. D. Christ, and I. Burghardt, J. Chem. Phys. 131, 124108 (2009). 10.1063/1.3226343
53. H. Tamura, E. R. Bittner, and I. Burghardt, J. Chem. Phys. 127, 034706 (2007). 10.1063/1.2748050
54. H. Wang and M. Thoss, J. Chem. Phys. 119, 1289 (2003). 10.1063/1.1580111
55. R. Martinazzo, B. Vacchini, K. H. Hughes, and I. Burghardt, J. Chem. Phys. 134, 011101 (2011). 10.1063/1.3532408
56. H. Tamura and M. Tsukada, Phys. Rev. B 85, 054301 (2012). 10.1103/PhysRevB.85.054301