Charge transport parameters of the pentathienoacene crystal

Journal of the American Chemical Society

Volumn 129, Issue 43, 2007, Pages 13072-13081

  Kim, Eung Gun ^a   Coropceanu, Veaceslav ^a   Gruhn, Nadine E ^b   Sánchez Carrera, Roel S ^a   Snoeberger, Robert ^a,d   Matzger, Adam J ^c   Brédas, Jean Luc ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b University of Arizona   (United States)

^c UNIVERSITY OF MICHIGAN   (United States)

^d YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTRAMOLECULAR VIBRONIC COUPLING; MOLECULAR LAYERS; PENTACENE; PENTATHIENOACENE CRYSTAL; POLARIZATION ENERGY; RUBRENE;

CHARGE TRANSFER; PARAMETER ESTIMATION; SEMICONDUCTOR MATERIALS; THIN FILM TRANSISTORS;

SINGLE CRYSTALS;

PENTACENE; PENTATHIENOACENE; SEXITHIOPHENE; SULFUR; THIOPHENE; UNCLASSIFIED DRUG;

ARTICLE; CRYSTAL; DENSITY FUNCTIONAL THEORY; DISPERSION; ELECTRIC CONDUCTIVITY; MOLECULAR INTERACTION; POLARIZATION; SEMICONDUCTOR; ULTRAVIOLET SPECTROSCOPY; VIBRATION;

EID: 35848941929     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja073587r     Document Type: Article

References (74)

1. Katz, H. E. J. Mater. Chem. 1997, 7, 369-376.
2. Horowitz, G. Adv. Mater. (Weinheim, Ger.) 1998, 10, 365-377.
3. Dimitrakopoulos, C. D.; Malenfant, P. R. L. Adv. Mater. (Weinheim, Ger.) 2002, 14, 99-117.
4. Mushrush, M.; Facchetti, A.; Lefenfeld, M.; Katz, H. E.; Marks, T. J. J. Am. Chem. Soc. 2003, 125, 9414-9423.
5. Payne, M. M.; Parkin, S. R.; Anthony, J. E.; Kuo, C.-C.; Jackson, T. N. J. Am. Chem. Soc. 2005, 127, 4986-4987.
6. Li, X.-C.; Sirringhaus, H.; Garnier, F.; Holmes, A. B.; Moratti, S. C.; Feeder, N.; Clegg, W.; Teat, S. J.; Friend, R. H. J. Am. Chem. Soc. 1998, 120, 2206-2207.
7. Mazaki, Y.; Kobayashi, K. Tetrahedron Lett. 1989, 30, 3315-3318.
8. Mazaki, Y.; Kobayashi, K. J. Chem. Soc., Perkin Trans. 2 1992, 761-764.
9. Sato, N.; Mazaki, Y.; Kobayashi, K.; Kobayashi, T. J. Chem. Soc., Perkin Trans. 2 1992, 765-770.
10. Zhang, X.; Côté, A. P.; Matzger, A. J. J. Am. Chem. Soc. 2005, 127, 10502-10503.
11. Xiao, K.; Liu, Y.; Qi, T.; Zhang, W.; Wang, F.; Gao, J.; Qiu, W.; Ma, Y.; Cui, G.; Chen, S.; Zhan, X.; Yu, G.; Qin, J.; Hu, W.; Zhu, D. J. Am. Chem. Soc. 2005, 127, 13281-13286.
12. Goldmann, C.; Haas, S.; Krellner, C.; Pernstich, K. P.; Gundlach, D. J.; Batlogg, B. J. Appl. Phys. 2004, 96, 2080-2086.
13. Laquindanum, J. G.; Katz, H. E.; Lovinger, A. J. J. Am. Chem. Soc. 1998, 120, 664-672.
14. Kwon, O.; Coropceanu, V.; Gruhn, N. E.; Durivage, J. C.; Laquindanum, J. G.; Katz, H. E.; Cornil, J.; Brédas, J.-L. J. Chem. Phys. 2004, 120, 8186-8194.
15. Wex, B.; Kaafarani, B. R.; Kirschbaum, K.; Neckers, D. C. J. Org. Chem. 2005, 70, 4502-4505.
16. Coropceanu, V.; Kwon, O.; Wex, B.; Kaafarani, B. R.; Gruhn, N. E.; Durivage, J. C.; Neckers, D. C.; Brédas, J.-L. Chem. - Eur. J. 2006, 12, 2073-2080.
17. Wex, B.; Kaafarani, B. R.; Schroeder, R.; Majewski, L. A.; Burckel, P.; Grell, M.; Neckers, D. C. J. Mater. Chem. 2006, 16, 1121-1124.
18. Dodabalapur, A.; Torsi, L.; Katz, H. E. Science 1995, 268, 270-271.
19. Torsi, L.; Dodabalapur, A.; Rothberg, L. J.; Fung, A. W. P.; Katz, H. E. Science 1996, 272, 1462-1464.
20. Brédas, J.-L.; Beljonne, D.; Coropceanu, V.; Cornil, J. Chem. Rev. (Washington, DC, U.S.) 2004, 104, 4971-5003.
21. Frisch, M. J., et al. Gaussian 98, revision A.11.1; Gaussian, Inc.: Pittsburgh, PA, 2001.
22. Reimers, J. R. J. Chem. Phys. 2001, 115, 9103-9109.
23. Malagoli, M.; Coropceanu, V.; da Silva Filho, D. A.; Brédas, J.-L. J. Chem. Phys. 2004, 120, 7490-7496.
24. Wong, M. W. Chem. Phys. Lett. 1996, 256, 391-399.
25. Hutter, J.; Lüthi, H. P.; Parrinello, M. Comput. Mater. Sci. 1994, 2, 244-248.
26. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188-5192.
27. Pollard, W. T.; Friesner, R. A. J. Chem. Phys. 1993, 99, 6742-6750.
28. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993-2006.
29. CPMD, 3.9.2; IBM Corp (Copyright 1990-2004) and Max-Planck Institut für Festkörperforschung Stuttgart (Copyright 1997-2001): 2005.
30. Senthilkumar, K.; Grozema, F. C.; Bickelhaupt, F. M.; Siebbeles, L. D. A. J. Chem. Phys. 2003, 119, 9809-9817.
31. Valeev, E. F.; Coropceanu, V.; da Silva Filho, D. A.; Salman, S.; Brédas, J.-L. J. Am. Chem. Soc. 2006, 128, 9882-9886.
32. Siegrist, T.; Fleming, R. M.; Haddon, R. C.; Laudise, R. A.; Lovinger, A. J.; Katz, H. E.; Bridenbaugh, P.; Davis, D. D. J. Mater. Res. 1995, 10, 2170-2173.
33. ADF, 2005.01; Scientific Computing and Modeling NV: Amsterdam, 2005.
34. Bertinelli, F.; Palmieri, P.; Stremmenos, C.; Pelizzi, G.; Taliani, C. J. Phys. Chem. 1983, 87, 2317-2322.
35. Zhao, Y.; Truhlar, D. G. J. Chem. Theory Comput. 2005, 1, 415-432.
36. Hummer, K.; Puschnig, P.; Ambrosch-Draxl, C. Phys. Rev. B 2003, 67, 184105.
37. Hermet, P.; Bantignies, J.-L.; Rahmani, A.; Sauvajol, J.-L.; Johnson, M. R.; Serein, F. J. Phys. Chem. A 2005, 109, 1684-1691.
38. Kearley, G. J.; Johnson, M. R.; Tomkinson, J. J. Chem. Phys. 2006, 124, 044514.
39. Van Bolhuis, F.; Wynberg, H.; Havinga, E. E.; Meijer, E. W.; Staring, E. G. J. Synth. Met. 1989, 30, 381-389.
40. Coropceanu, V.; Malagoli, M.; da Silva Filho, D. A.; Gruhn, N. E.; Bill, T. G.; Brédas, J.-L. Phys. Rev. Lett. 2002, 89, 275503.
41. da Silva Filho, D. A.; Coropceanu, V.; Fichou, D.; Gruhn, N. E.; Bill, T. G.; Gierschner, J.; Cornil, J.; Brédas, J.-L. Philos. Trans. R. Soc. London, Ser. A 2007, 365, 1435-1452.
42. Sánchez-Carrera, R. S.; Coropceanu, V.; da Silva Filho, D. A.; Friedlein, R.; Osikowicz, W.; Murdey, R.; Suess, C.; Salaneck, W. R.; Brédas, J.-L. J. Phys. Chem. B 2006, 110, 18904-18911.
43. Curtis, M. D.; Cao, J.; Kampf, J. W. J. Am. Chem. Soc. 2004, 126, 4318-4328.
44. Jurchescu, O. D.; Meetsma, A.; Palstra, T. T. M. Acta Crystallogr., Sect. B 2006, 62, 330-334.
45. Podzorov, V.; Menard, E.; Borissov, A.; Kiryukhin, V.; Rogers, J. A.; Gershenson, M. E. Phys. Rev. Lett. 2004, 93, 086602.
46. de Wijs, G. A.; Mattheus, C. C.; de Groot, R. A.; Palstra, T. T. M. Synth. Met. 2003, 139, 109-114.
47. Hummer, K.; Ambrosch-Draxl, C. Phys. Rev. B 2005, 72, 205205.
48. da Silva Filho, D. A.; Kim, E.-G.; Brédas, J.-L. Adv. Mater. (Weinheim, Ger.) 2005, 17, 1072-1076.
49. Seeger, K. Semiconductor Physics: An Introduction, 9th ed.; Springer-Verlag: Berlin, 2004.
50. Sze, S. M. Semiconductor Devices: Physics and Technology, 2nd ed.; John Wiley: New York, 2001.
51. Kittel, C. Quantum Theory of Solids; Wiley: New York, 1963.
52. Silinsh, E. A.; Čápek, V. Organic Molecular Crystals: Interaction, Localization, and Transport Phenomena, 2nd ed.; AIP Press: New York, 1994.
53. Pope, M.; Swenberg, C. E. Electronic Processes in Organic Crystals and Polymers, 2nd ed.; Oxford University Press: New York, 1999.
54. Holstein, T. Ann. Phys. (N.Y., NY, U.S.) 1959, 8, 325-342.
55. Holstein, T. Ann. Phys. (N.Y., NY, U.S.) 1959, 8, 343-389.
56. Peierls, R. E. Quantum Theory of Solids; Oxford University Press: New York, 2001.
57. Devos, A.; Lannoo, M. Phys. Rev. B 1998, 58, 8236-8239.
58. As far as fitting is concerned, the size dependences are represented far better by a power law.
59. Sato, N.; Seki, K.; Inokuchi, H. J. Chem. Soc., Faraday Trans. 2 1981, 77, 1621-1633.
60. Telesca, R.; Bolink, H.; Yunoki, S.; Hadziioannou, G.; Van Duijnen, P. T.; Snijders, J. G.; Jonkman, H. T.; Sawatzky, G. A. Phys. Rev. B 2001, 63, 155112.
61. Lögdlund, M.; Dannetun, P.; Fredriksson, C.; Salaneck, W. R.; Brédas, J.-L. Phys. Rev. B 1996, 53, 16327-16333.
62. Brovchenko, I. V. Chem. Phys. Lett. 1997, 278, 355-359.
63. Troisi, A.; Orlandi, G.; Anthony, J. E. Chem. Mater. 2005, 17, 5024-5031.
64. Troisi, A.; Orlandi, G. J. Phys. Chem. A 2006, 110, 4065-4070.
65. Troisi, A. Mol. Simul. 2006, 32, 707-716.
66. Gosar, P.; Choi, S.-I. Phys. Rev. 1966, 150, 529-538.
67. Munn, R. W.; Silbey, R. J. Chem. Phys. 1985, 83, 1843-1853.
68. Munn, R. W.; Silbey, R. J. Chem. Phys. 1985, 83, 1854-1864.
69. Hannewald, K.; Stojanović, V. M.; Schellekens, J. M. T.; Bobbert, P. A.; Kresse, G.; Hafner, J. Phys. Rev. B 2004, 69, 075211.
70. Hannewald, K.; Bobbert, P. A. Appl. Phys. Lett. 2004, 85, 1535-1537.
71. Coropceanu, V.; Cornil, J.; da Silva Filho, D. A.; Olivier, Y.; Silbey, R.; Brédas, J.-L. Chem. Rev. (Washington, DC, U.S.) 2007, 107, 926-952.
72. Casalis, L.; Danisman, M. F.; Nickel, B.; Bracco, G.; Toccoli, T.; Iannotta, S.; Scoles, G. Phys. Rev. Lett. 2003, 90, 206101.
73. Koch, N.; Vollmer, A.; Salzmann, I.; Nickel, B.; Weiss, H.; Rabe, J. P. Phys. Rev. Lett. 2006, 96, 156803.
74. Yoo, S.; Domercq, B.; Kippelen, B. Appl. Phys. Lett. 2004, 85, 5427-5429.