A density functional theory study on the binding of NO onto FePc films

Journal of Chemical Physics

Volumn 127, Issue 21, 2007, Pages

  Tran, Ngoc L ^a   Kummel, Andrew C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ELECTRON GAS; IRON COMPOUNDS; NITROGEN OXIDES;

ELECTRON WITHDRAWING GAS; IRON PHTHALOCYANINE;

OXIDE FILMS;

EID: 36849046145     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2799988     Document Type: Article

References (43)

1. L. Lozzi, S. Santucci, and S. La Rosa, Appl. Phys. Lett. 88, 133505 (2006).
2. K. Nebesny, G. Collins, P. Lee, L. Chau, J. Danziger, E. Osburn, and N. Armstrong, Chem. Mater. 3, 829 (1991).
3. J. Buchholz and G. Somorjai, J. Chem. Phys. 66, 573 (1977).
4. X. Lu, K. Hipps, X. Wang, and U. Mazur, J. Am. Chem. Soc. 118, 7197 (1996).
5. X. Lu and K. Hipps, J. Phys. Chem. B 101, 5391 (1997).
6. T. Gopakumar, M. Lackinger, M. Hackert, F. Muller, and M. Hietschold, J. Phys. Chem. B 108, 7839 (2004).
7. P. Day, Z. Wang, and R. Pachter, J. Mol. Struct.: THEOCHEM 455, 33 (1998).
8. M. Liao and S. Scheiner, J. Chem. Phys. 114, 9780 (2001).
9. V. Mastryukov, C. Ruan, M. Fink, Z. Wang, and R. Pachter, J. Mol. Struct. 556, 225 (2000).
10. J. Germain, A. Pauly, C. Maleysson, J. Blanc, and B. Schollhorn, Thin Solid Films 333, 235 (1998).
11. B. Schollhorn, J. Germain, A. Pauly, C. Maleysson, and J. Blanc, Thin Solid Films 326, 245 (1998).
12. T. Jones, B. Bott, and S. Thorpe, Sens. Actuators 17, 467 (1989).
13. H. Tada, H. Touda, M. Takada, and K. Matsushige, J. Porphyr. Phthalocyanines 3, 667 (1999).
14. N. Ishikawa, D. Maurice, and M. HeadGordon, Chem. Phys. Lett. 260, 178 (1996).
15. K. Nguyen and R. Pachter, J. Chem. Phys. 114, 10757 (2001).
16. L. Lozzi, S. Santucci, S. La Rosa, B. Delley, and S. Picozzi, J. Chem. Phys. 121, 1883 (2004).
17. T. Yamaguchi, J. Phys. Soc. Jpn. 66, 749 (1997).
18. B. Bialek and P. Bragiel, Acta Phys. Pol. 89, 443 (1996).
19. B. Szczepaniak and P. Bragiel, Vacuum 46, 465 (1995).
20. B. Bialek, Opt. Appl. 35, 323 (2005).
21. L. Lozzi, S. Picozzi, S. Santucci, C. Cantalini, and B. Delley, J. Electron Spectrosc. Relat. Phenom. 137-140, 101 (2004).
22. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
23. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996).
24. G. Kresse and J. Hafner, J. Phys.: Condens. Matter 6, 8245 (1994).
25. J. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
26. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
27. J. Kirner, W. Dow, and W. Scheidt, Inorg. Chem. 15, 1685 (1976).
28. Y. Fu, Y. Mou, B.-L. Lin, L. Liu, and Q.-X. Guo, J. Phys. Chem. A 106, 12386 (2002).
29. C. I. Sainz-Diaz, J. Phys. Chem. A 106, 6600 (2002).
30. Y. Sadaoka, Y. Sakai, N. Yamazoe, and T. Seiyama, Denki Kagaku 50, 457 (1982).
31. P. Redhead, Vacuum 12, 203 (1962).
32. D. A. Becke, J. Chem. Phys. 96, 2155 (1992).
33. S. Bishop, N. Tran, G. Poon, and A. Kummel, J. Chem. Phys. 127, 214702 (2007).
34. Q. Zhou and R. Gould, Thin Solid Films 317, 436 (1998).
35. T. Nyokong and S. Vilakazi, Talanta 61, 27 (2003).
36. R. Collins and K. Mohammed, Thin Solid Films 145, 133 (1986).
37. D. E. Barlow, L. Scudiero, and K. W. Hipps, Langmuir 20, 4413 (2004).
38. R. Gould, Coord. Chem. Rev. 156, 237 (1996).
39. B. Bialek, I. Kim, and J. Lee, Surf. Sci. 526, 367 (2003).
40. Y. Lee, C. Hsiao, C. Chang, and Y. Yang, Sens. Actuators B 94, 169 (2003).
41. G. Henkelman, A. Arnaldsson, and H. Jonsson, Comput. Mater. Sci. 36, 354 (2006).
42. R. Collins and K. Mohammed, J. Phys. D 21, 154 (1988).
43. M. Ashida, N. Uyeda, and E. Suito, J. Cryst. Growth 8, 45 (1971).