Effects of intermolecular interaction on the energy distribution of valance electronic states of a carbazole-based material in amorphous thin films

Journal of Chemical Physics

Volumn 136, Issue 20, 2012, Pages

  Kwon, Soonnam ^a   Wee, Kyung Ryang ^a   Kim, Jeong Won ^b   Pac, Chyongjin ^a   Kang, Sang Ook ^a  

^a Korea University   (South Korea)

^b Korea Research Institute of Standards and Science   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS SOLIDS; AMORPHOUS THIN FILMS; ELECTRONIC ENERGY STATE; ENERGY DISTRIBUTIONS; INTERMOLECULAR INTERACTIONS; MOLECULAR ASSEMBLY; ORGANIC SOLIDS; ORIENTED ASSEMBLY; SEMI-EMPIRICAL; VAN DER WAALS;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; POLYCYCLIC AROMATIC HYDROCARBONS; VAN DER WAALS FORCES;

DIMERS;

EID: 84862541583     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4723667     Document Type: Article

References (31)

1. F. London, Trans. Faraday Soc. 33, 8 (1937). 10.1039/tf937330008b
2. H. Bassler, Phys. Status Solidi B 107, 9 (1981). 10.1002/pssb.2221070102
3. J. D. Wright, Molecular crystals, 2nd ed. (Cambridge University Press, Cambridge, 1995).
4. I. N. Hulea, H. B. Brom, A. J. Houtepen, D. Vanmaekelberg, J. J. Kelly, and E. A. Meulenkamp, Phys. Rev. Lett. 93, 166601 (2004). 10.1103/PhysRevLett. 93.166601
5. O. Tal, Y. Rosenwaks, Y. Preezant, N. Tessler, C. K. Chan, and A. Kahn, Phys. Rev. Lett. 95, 256405 (2005). 10.1103/PhysRevLett.95.256405
6. M. Schober, S. Olthof, M. Furno, B. Lussem, and K. Leo, Appl. Phys. Lett. 97, 013303 (2010). 10.1063/1.3460528
7. S. Krause, M. B. Casu, A. Scholl, and E. Umbach, New J. Phys. 10, 085001 (2008). 10.1088/1367-2630/10/8/085001
8. J. Hwang, A. Wan, and A. Kahn, Mater. Sci. Eng. R 64, 1 (2009). 10.1016/j.mser.2008.12.001
9. W. R. Salaneck, Phys. Rev. Lett. 40, 60 (1978). 10.1103/PhysRevLett.40.60
10. S. Kera, H. Yamane, and N. Ueno, Prog. Surf. Sci. 84, 135 (2009). 10.1016/j.progsurf.2009.03.002
11. N. Koch, A. Vollmer, I. Salzmann, B. Nickel, H. Weiss, and J. P. Rabe, Phys. Rev. Lett. 96, 156803 (2006). 10.1103/PhysRevLett.96.156803
12. H. Yamane, S. Kera, K. K. Okudaira, D. Yoshimura, K. Seki, and N. Ueno, Phys. Rev. B 68, 033102 (2003). 10.1103/PhysRevB.68.033102
13. S. Kera, H. Fukagawa, T. Kataoka, S. Hosoumi, H. Yamane, and N. Ueno, Phys. Rev. B 75, 121305(R) (2007). 10.1103/PhysRevB.75.121305
14. C. B. Duke, W. R. Salaneck, T. J. Fabish, J. J. Ritsko, H. R. Thomas, and A. Paton, Phys. Rev. B 18, 5717 (1978). 10.1103/PhysRevB.18.5717
15. H. Bassler, Phys. Status Solidi B 175, 15 (1993). 10.1002/pssb.2221750102
16. J. Kirkpatrick and J. Nelson, J. Chem. Phys. 123, 0847031 (2005). 10.1063/1.1993560
17. S. Grimme, J. Comput. Chem. 27, 1787 (2006). 10.1002/jcc.20495
18. A. Tkatchenko, L. Romaner, O. T. Hofmann, E. Zojer, C. Ambrosch-Draxl, and M. Scheffler, MRS Bull. 35, 435 (2010). 10.1557/mrs2010.581
19. K.-R. Wee, A.-L. Kim, S.-Y. Jeong, S. Kwon, and S. O. Kang, Org. Electron. 12, 1973 (2011). 10.1016/j.orgel.2011.08.021
20. W.-S. Han, H.-J. Son, K.-R. Wee, K.-T. Min, S. Kwon, I.-H. Suh, S.-H. Choi, D. H. Jung, and S. O. Kang, J. Phys. Chem. C 113, 19686 (2009). 10.1021/jp907104j
21. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 09, Revision A.02, Gaussian, Inc., Wallingford, CT, 2009.
22. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. 98, 5648 (1994). 10.1021/j100096a001
23. G. Arfken, Mathematical Methods for Physicists, 3rd ed. (Academic, Orlando, 1985).
24. Y. Nagata, and C. Lennartz, J. Chem. Phys. 129, 034709 (2008). 10.1063/1.2949506
25. D. Wolf, P. Keblinski, S. R. Phllpot, and J. Eggebrecht, J. Chem. Phys. 110, 8254 (1999). 10.1063/1.478738
26. A. Schäfer, H. Horn, and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992). 10.1063/1.463096
27. D. E. Williams, J. Comput. Chem. 22, 1154 (2001). 10.1002/jcc.1074
28. K. Toyoda, I. Hamada, K. Lee, S. Yanagisawa, and Y. Morikawa, J. Chem. Phys. 132, 134703 (2010). 10.1063/1.3373389
29. N. Marom, A. Tkatchenko, M. Sheffler, and Leeor Kronik, J. Chem. Theory Comput. 6, 81 (2010). 10.1021/ct900410j
30. J. Cornil, D. Santos, R. Lazzaroni, M. Malagoli, and J.-L. Bredas, A theoretical insight into organic interfaces in electro-optic devices., in Conjugated Polymer and Molecular Interfaces, edited by, W. R. Salaneck, K. Seki, A. Kahn, and, J. J. Pireaux, (Marcel Dekker, Inc., New York, 2002).
31. M. Ernzerhof and J. P. Perdew, J. Chem. Phys. 109, 3313 (1998). 10.1063/1.476928