Calculation of ionization potential of amorphous organic thin-films using solvation model and DFT

Organic Electronics

Volumn 10, Issue 3, 2009, Pages 532-535

  Nayak, Pabitra K ^a   Periasamy, N ^a  

^a TATA INSTITUTE OF FUNDAMENTAL RESEARCH   (India)

Author keywords

Density functional theory; Ionization potential; Organic thin film; Polarizable continuum model; Ultraviolet photoemission spectroscopy

Indexed keywords

AMORPHOUS FILMS; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; MOLECULES; PHOTOELECTRON SPECTROSCOPY; THIN FILMS;

EXPERIMENTAL VALUES; ORGANIC ELECTRONICS; ORGANIC MOLECULES; ORGANIC THIN FILMS; POLARIZABLE CONTINUUM MODEL; SOLVATION MODELS; ULTRAVIOLET PHOTOEMISSION SPECTROSCOPY;

IONIZATION POTENTIAL;

EID: 84962420408     PISSN: 15661199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.orgel.2009.01.011     Document Type: Article

References (24)

1. Shinar J. Organic Light-Emitting Devices (2003), Springer-Verlag, New York
2. Rajagopal A., Wu C.I., and Kahn A. J. Appl. Phys. 83 (1998) 2649
3. Sato N., Seki K., and Inokuchi H. J. Chem. Soc., Faraday Trans. 77 (1981) 1621
4. Sugiyama K., Yoshimura D., Miyamae T., Miyazaki T., Ishii H., Ouchi Y., and Seki K. J. Appl. Phys. 83 (1998) 4928
5. Martin R.L., Kress J.D., Campbell I.H., and Smith D.L. Phys. Rev. B: Condens. Matter 61 (2000) 15804
6. Slattery D.K., Linkous C.A., Gruhn N.E., and Baum J.C. Dyes Pigments 49 (2001) 21
7. Zhan X., Risko C., Amy F., Chan C., Zhao Stephen Barlow W., Kahn A., Brédas J., and Marder S.R. J. Am. Chem. Soc. 127 (2005) 9021
8. Lee S.U., and Han Y.-K. J. Mol. Struct.: Theochem 672 (2004) 231
9. Tomasi J., Mennucci B., and Cammi R. Chem. Rev. 105 (2005) 2999
10. Miertus S., Scrocco E., and Tomasi J. Chem. Phys. 55 (1981) 117
11. Frisch M.J., et al. Gaussian 03, Revision C.02 (2004), Gaussian, Inc., Wallingford, CT
12. Cramer C.J. Essentials of Computational Chemistry (2003), Wiley, England
13. Barone V., Cossi M., and Tomasi J. J. Chem. Phys. 107 (1997) 3210
14. Yamada K., Saiki A., Sakaue H., Shingubara S., and Takahagi T. Jpn. J. Appl. Phys. 40 (2001) 4829
15. Lee Y.S., Park J., and Choi J.S. J. Korean Phys. Soc. 42 (2003) 294
16. Murdey R.J., and Salaneck W.R. Jpn. J. Appl. Phys. 44 (2005) 3751
17. Lee S.T., Wang Y.M., Hou X.Y., and Tang C.W. Appl. Phys. Lett. 74 (1999) 670
18. Andrade B.W.D., Datta S., Forrest S.R., Djurovich P., Polikarpov E., and Thompson M.E. Org. Electron. 6 (2005) 11
19. Hill I.G., and Kahn A. J. Appl. Phys. 86 (1999) 4515
20. Schmidt A., Anderson M.L., and Armstrong N.R. J. Appl. Phys. 78 (1995) 5619
21. Rand B.P., Li J., Xue J., Holmes R.J., Thompson M.E., and Forrest S.R. Adv. Mater. 17 (2005) 2714
22. Chan M.Y., Lai S.L., Lau K.M., Lee C.S., and Lee S.T. Appl. Phys. Lett. 89 (2006) 163515
23. Pfeiffer M., Forrest S.R., Leo K., and Thompson M.E. Adv. Mater. 14 (2002) 1633
24. Gao W., and Kahn A. Org. Electron. 3 (2002) 53