Decanethiols on gold: The structure of self-assembled monolayers unraveled with computer simulations

Langmuir

Volumn 19, Issue 9, 2003, Pages 3567-3571

  Fischer, Dominik ^a   Curioni, Alessandro ^a   Andreoni, Wanda ^a  

^a IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

INTERCHAIN INTERACTIONS;

CHEMICAL BONDS; COMPUTER SIMULATION; GOLD; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; NANOTECHNOLOGY; SUBSTRATES; THERMODYNAMICS;

SELF ASSEMBLY;

EID: 0038342171     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la034013c     Document Type: Article

References (36)

1. Nuzzo, R. G.; Allara, D. L. J. Am. Chem. Soc. 1983, 105, 4481-4483.
2. Ulman, A. Chem. Rev. 1996, 96, 1533-1554.
3. Schreiber, F. Prog. Surf. Sci. 2000, 65, 151-257.
4. Mar, W.; Klein, M. L. Langmuir 1993, 10, 188-196.
5. Gerdy, J. J.; Goddard, W. A., III J. Am. Chem. Soc. 1996, 118. 3233-3236.
6. Bhatia, R.; Garrison, B. J. Langmuir 1997, 13, 4038-4043.
7. Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
8. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868.
9. Grönbeck, H.; Curioni, A.; Andreoni, W. J. Am. Chem. Soc. 2000, 122, 3839-3842.
10. Andreoni, W.; Curioni, A.; Grönbeck, H. Int. J. Quantum Chem. 2001, 80, 598-608.
11. Karasawa, N.; Dasgupta, S.; Goddard, W. A., III J. Phys. Chem. 1991, 95, 2260-2272.
12. Majo, S. L.; Olafson, B. D.; Goddard, W. A., III J. Phys. Chem. 1990, 94, 8897-8909.
13. Eichinger, M.; Tavan, P.; Hutter, J.; Parrinello, M. J. Chem. Phys. 1999, 110, 10452-10467.
14. CPMD, copyright 1990, 1997, and 2000 by IBM Corporation and 1997 by Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany. See http://www.cpmd.org.
15. Billeter, S.; Curioni, A.; Andreoni, W. Comput. Mater. Sci., in press.
16. Nuzzo, R. G.; Zegarski, B. R.; Dubois, L. H. J. Am. Chem. Soc. 1987, 109, 733-740.
17. Nuzzo, R. G.; Dubois, L. H.; Allara, D. L. J. Am. Chem. Soc. 1990, 112, 558-569.
18. Heister, K.; Zharnikov, M.; Grunze, M.; Johansson, L. S. O. J. Phys. Chem. B 2001, 705, 4058-4061.
19. Dubois, L. H.; Zegarski, B. R.; Nuzzo, R. G. J. Chem. Phys. 1993, 98, 678-688.
20. Strong, L.; Whitesides, G. M. Langmuir 1988, 4, 546-558
21. Chidsey, C. E. D.; Loiacono, D. N. Langmuir 1990, 6, 682-692.
22. Camillone, N., III; Chidsey, C. E. D.; Liu, G.-Y.; Scoles, G. J. Chem. Phys. 1993, 98, 3503-3511.
23. Poirier, G. E.; Tarlov, M. J. Langmuir 1994, 10, 2853-2856.
24. Delamarche, E.; Michel, B.; Biebuyck, H. A.; Gerber, Ch. Adv. Mater. 1996, 8, 719-729.
25. Kato, H. S.; Noh, J.; Hara, M.; Kawai, M. J. Phys. Chem. B 2002, 106, 9655-9658.
26. Fenter, P.; Eberhardt, A.; Eisenberger, P. Science 1994, 266, 1216-1218.
27. Fenter, P.; Schreiber, F.; Berman, L.; Scoles, G.; Eisenberger, P.; Bedzyk, M. J. Surf. Sci. 1998, 412/413, 213-235.
28. Kluth, G. J.; Carraro, C.; Maboudian, R. Phys. Rev. B 1999, 59, R10449-R10452.
29. Zerulla, D.; Chasse, T. Langmuir 1999, 15, 5285-5294.
30. Cui, X. D.; Primak, A.; Zarate, X.; Tomfohr, J.; Sankey, O. F.; Moore, A. L.; Gust, D.; Harris, G.; Lindsay, S. M. Science 2001, 294, 571-574.
31. Pflaum, J.; Braoco, G.; Schreiber, F.; Colorado, R., Jr.; Shmakova, O. E.; Lee, T. R.; Scoles, G.; Kahn, A. Surf. Sci. 2001, 498, 89-104.
32. Fenter, P.; Eisenberger, P.; Liang, K. S. Phys. Rev. Lett. 1993, 70, 2447-2460.
33. Fenter, P.; Eberhardt, A.; Liang, K. S.; Eisenberger, P. J. Chem. Phys. 1997, 106, 1600-1608.
34. Fischer, D.; Marti, A.; Haehner, G. J. Vac. Sci. Technol., A 1997, 15, 2173-2180.
35. Yourdshahyan, Y.; Zhang, H.; Rappe, A. M. Phys. Rev. B 2001, 63, 0814051-0814054.
36. Vargas, C.; Giannozzi, P.; Selloni, A.; Scoles, G. J. Phys. Chem. B 2001, 105, 9509-9513.