A realistic description of the charge carrier wave function in microcrystalline polymer semiconductors

Journal of the American Chemical Society

Volumn 131, Issue 31, 2009, Pages 11179-11186

  Cheung, D L ^a   McMahon, D P ^a   Troisi, A ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSPORT; CHEMICAL DETAILS; COMPUTATIONAL CHEMISTRY; CRYSTALLINE PHASE; MICROSCOPIC DESCRIPTION; ORDERED POLYMERS; PHENOMENOLOGICAL DESCRIPTION; PHENOMENOLOGICAL MODELS; POLARON FORMATION; POLYMER SEMICONDUCTORS; QUANTUM DYNAMICS; QUANTUM-CHEMICAL METHODS; TRAPPED STATE;

CHARGE CARRIERS; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY; QUANTUM THEORY; SEMICONDUCTING POLYMERS; WAVE FUNCTIONS;

POLYMERS;

CRYSTALLIN; MICROCRYSTALLINE POLYMER; POLY( 3 HEXYLTHIOPHENE); POLYMER; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CRYSTALLOGRAPHY; ELECTRICITY; ELECTRON TRANSPORT; ELECTRONICS; ENERGY TRANSFER; MICROSCOPY; MOLECULAR DYNAMICS; PHASE TRANSITION; PHENOMENOLOGY; POLYMERIZATION; QUANTUM CHEMISTRY; SEMICONDUCTOR;

EID: 68249156459     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja903843c     Document Type: Article

References (64)

1. Burroughes, J. H.; Bradley, D. D. C.; Brown, A. R.; Marks, R. N.; Mackay, K.; Friend, R. H.; Burns, P. L.; Holmes, A. B. Nature 1990, 347, 539.
2. Sheats, J. R.; Antoniadis, H.; Hueschen, M.; Leonard, W.; Miller, J.; Moon, R.; Roitman, D.; Stocking, A. Science 1996, 273, 884.
3. Burroughes, J. H.; Jones, C. A.; Friend, R. H. Nature 1988, 335, 137.
4. Horowitz, G.; Fichou, D.; Peng, X. Z.; Xu, Z. G.; Garnier, F. Solid State Commun. 1989, 72, 381.
5. Sirringhaus, H. Adv. Mater. 2005, 17, 2411.
6. Granstrom, M.; Petritsch, K.; Arias, A. C.; Lux, A.; Andersson, M. R.; Friend, R. H. Nature 1998, 395, 257.
7. Peumans, P.; Uchida, S.; Forrest, S. R. Nature 2003, 425, 158.
8. Coropceanu, V.; Cornil, J.; da Silva, D. A.; Olivier, Y.; Silbey, R.; Bredas, J. L. Chem. Rev. 2007, 107, 926.
9. Grozema, F. C.; Siebbeles, L. D. A. Int. Rev. Phys. Chem. 2008, 27, 87.
10. Cheung, D. L.; Troisi, A. Phys. Chem. Chem. Phys. 2008, 10, 5941.
11. Cheng, Y. C.; Silbey, R. J.; da Silva Filho, D. A.; Calbert, J. P.; Cornil, J.; Bredas, J. L. J. Chem. Phys. 2003, 118, 3764.
12. Troisi, A. Adv. Mater. 2007, 19, 2000.
13. Dacosta, P. G.; Dandrea, R. G.; Conwell, E. M. Phys. Rev. B 1993, 47, 1800.
14. Kirkpatrick, J.; Marcon, V.; Nelson, J.; Kremer, K.; Andrienko, D. Phys. Rev. Lett. 2007, 98, 227402.
15. Baranovski, S. E. Charge Transport in Disordered Solids with Applications in Electronics; Wiley: West Sussex, 2006.
16. Bassler, H. Phys. Status Solidi B 1993, 175, 15.
17. Street, R. A.; Northrup, J. E.; Salleo, A. Phys. Rev. B 2005, 71, 165202.
18. Marcus, R. J. Chem. Phys. 1956, 24, 966.
19. Miller, A.; Abrahams, B. Phys. Rev. B 1960, 120, 745.
20. Novikov, S. V.; Dunlap, D. H.; Kenkre, V. M.; Parris, P. E.; Vannikov, A. V. Phys. Rev. Lett. 1998, 81, 4472.
21. Cordes, H.; Baranovskii, S. D.; Kohary, K.; Thomas, P.; Yamasaki, S.; Hensel, F.; Wendorff, J. H. Phys. Rev. B 2001, 6309, 094201.
22. Coehoorn, R.; Pasveer, W. F.; Bobbert, P. A.; Michels, M. A. J. Phys. Rev. B 2005, 72, 155206.
23. Vissenberg, M.; Matters, M. Phys. Rev. B 1998, 57, 12964.
24. Salleo, A.; Chen, T. W.; Volkel, A. R.; Wu, Y.; Liu, P.; Ong, B. S.; Street, R. A. Phys. Rev. B 2004, 70, 115311.
25. Bao, Z.; Dodabalapur, A.; Lovinger, A. J. Appl. Phys. Lett. 1996, 69, 4108.
26. McCullough, R. D. Adv. Mater. 1998, 10, 93.
27. Yang, H. C.; Shin, T. J.; Yang, L.; Cho, K.; Ryu, C. Y.; Bao, Z. N. Adv. Funct. Mater. 2005, 15, 671.
28. Jimison, L. H.; Salleo, A.; Chabinyc, M. L.; Bernstein, D. P.; Toney, M. F. Phys. Rev. B 2008, 78, 125319.
29. Nitzan, A. Chemical Dynamics in Condensed Phases; Oxford University Press: New York, 2006.
30. Vukmirovic, N.; Wang, L. W. J. Phys. Chem. B 2009, 113, 409.
31. Troisi, A.; Orlandi, G. J. Phys. Chem. A 2006, 110, 4065.
32. Troisi, A.; Orlandi, G.; Anthony, J. E. Chem. Mater. 2005, 17, 5024.
33. Hultell, M.; Stafstrom, S. Phys. Rev. B 2007, 75, 104304.
34. Prins, P.; Grozema, F. C.; Galbrecht, F.; Scherf, U.; Siebbeles, L. D. A. J. Phys. Chem. C 2007, 111, 11104.
35. Troisi, A.; Orlandi, G. Phys. Rev. Lett. 2006, 96, 086601.
36. Geskin, V. M.; Dkhissi, A.; Bredas, J. L. Int. J. Quantum Chem. 2003, 91, 350.
37. Prosa, T. J.; Winokur, M. J.; McCullough, R. D. Macromolecules 1996, 29, 3654.
38. Joshi, S.; Grigorian, S.; Pietsch, U. Phys. Status Solidi A 2008, 205, 488.
39. Prosa, T. J.; Winokur, M. J.; Moulton, J.; Smith, P.; Heeger, A. J. Macromolecules 1992, 25, 4364.
40. Kline, R. J.; DeLongchamp, D. M.; Fischer, D. A.; Lin, E. K.; Richter, L. J.; Chabinyc, M. L.; Toney, M. F.; Heeney, M.; McCulloch, I. Macromolecules 2007, 40, 7960.
41. Meille, S. V.; Romita, V.; Caronna, T.; Lovinger, A. J.; Catellani, M.; Belobrzeckaja, L. Macromolecules 1997, 30, 7898.
42. Prosa, T. J.; Moulton, J.; Heeger, A. J.; Winokur, M. J. Macromolecules 1999, 32, 4000.
43. Marcon, V.; Raos, G. J. Am. Chem. Soc. 2006, 128, 1408.
44. Marcon, V.; Raos, G.; Campione, M.; Sassella, A. Cryst. Growth Des. 2006, 6, 1826.
45. Arosio, P.; Moreno, M.; Famulari, A.; Raos, G.; Catellani, M.; Meille, S. V. Chem. Mater. 2009, 21, 78.
46. Jorgensen, W. L.; Maxwell, D. S.; TiradoRives, J. J. Am. Chem. Soc. 1996, 118, 11225.
47. Marcon, V.; Raos, G. J. Phys. Chem. B 2004, 108, 18053.
48. Smith, W.; Todorov, I. T. Mol. Simul. 2006, 32, 935.
49. Melchionna, S.; Ciccotti, G.; Holian, B. L. Mol. Phys. 1993, 78, 533.
50. Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. J. Chem. Phys. 1995, 103, 8577.
51. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
52. Lee, P. A.; Ramakrishnan, T. V. Rev. Mod. Phys. 1985, 57, 287.
53. Rappaport, N.; Solomesch, O.; Tessler, N. J. Appl. Phys. 2006, 99, 064507.
54. Pasveer, W. F.; Cottaar, J.; Tanase, C.; Coehoorn, R.; Bobbert, P. A.; Blom, P. W. M.; de Leeuw, D. M.; Michels, M. A. J. Phys. Rev. Lett. 2005, 94, 206601.
55. Grecu, S.; Roggenbuck, A.; Opitz, A.; Brutting, W. Org. Electron. 2006, 7, 276.
56. Tanase, C.; Meijer, E. J.; Blom, P. W. M.; de Leeuw, D. M. Phys. Rev. Lett. 2003, 91, 216601.
57. Fumagalli, L.; Binda, M.; Natali, D.; Sampietro, M.; Salmoiraghi, E.; Di Gianvincenzo, P. J. Appl. Phys. 2008, 104, 084513.
58. Tal, O.; Rosenwaks, Y.; Preezant, Y.; Tessler, N.; Chan, C. K.; Kahn, A. Phys. Rev. Lett. 2005, 95, 256405.
59. Choi, J.; Chipara, M.; Xu, B.; Yang, C. S.; Doudin, B.; Dowben, P. A. Chem. Phys. Lett. 2001, 343, 193.
60. Geskin, V. M.; Cornil, J.; Bredas, J. L. Chem. Phys. Lett. 2005, 403, 228.
61. Brown, P. J.; Sirringhaus, H.; Harrison, M.; Shkunov, M.; Friend, R. H. Phys. Rev. B 2001, 6312, 125204.
62. Cornil, J.; Beljonne, D.; Bredas, J. L. J. Chem. Phys. 1995, 103, 842.
63. Berlin, Y. A.; Burin, A. L.; Siebbeles, L. D. A.; Ratner, M. A. J. Phys. Chem. A 2001, 105, 5666.
64. Preezant, Y.; Tessler, N. Phys. Rev. B 2006, 74, 235202.