Melting of hexane monolayers adsorbed on graphite: The role of domains and defect formation

Langmuir

Volumn 25, Issue 12, 2009, Pages 6596-6598

  Wexler, C ^a   Firlej, L ^a,b   Kuchta, B ^a,c   Roth, M W ^d  

^a UNIVERSITY OF MISSOURI   (United States)

^b UNIVERSITÉ MONTPELLIER 2   (France)

^c AIX MARSEILLE UNIVERSITY   (France)

^d UNIVERSITY OF NORTHERN IOWA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADJUSTABLE PARAMETERS; ADSORBED FILMS; ATOMISTIC REPRESENTATION; CANONICAL ENSEMBLE; CARBON ATOMS; DEFECT FORMATION; FORCE FIELDS; GRAPHITE SUBSTRATE; LARGE-SCALE MOLECULAR DYNAMICS; MELTING TRANSITIONS; MOLECULAR REORIENTATION; NONBONDED INTERACTION; REALISTIC MODEL; SITE INTERACTION; TOTAL COMPUTATION TIME;

DYNAMICS; HEXANE; MELTING; MOLECULAR DYNAMICS; MONOLAYERS;

GRAPHITE;

EID: 66749120740     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la900808f     Document Type: Article

References (17)

1. Krim, J.; Suzanne, J.; Shechter, H.; Wang, R.; Taub, H. Surf. Sti. 1985, 162, 446.
2. Newton, J. C. Dissertation, University of Missouri-Columbia, 1989.
3. Taub, H. In NATO Advanced Study Institutes, Series C: Mathematical and Physical Sciences; Long, G. J., Grandjean, F., Eds.; Kluwer: Dordrecht, 1988; Vol. 228, p 467.
4. Hansen, F. Y.; Taub, H. Phys. Rev. Lett. 1992, 69, 652.
5. Hansen, F. Y.; Newton, J. C.; Taub, H. J. Chem. Phys. 1993, 98, 4128.
6. Velasco, E.; Peters, G. H. J. Chem. Phys. 1995, 102, 1098.
7. Peters, G. H.; Tildesley, D. J. Langmuir 1996, 12, 1557.
8. Peters, G. H. Surf. Sci. 1996, 347, 169.
9. Herwig, K. W.; Wu, Z.; Dai, P.; Taub, H.; Hansen, F. Y. J. Chem. Phys. 1997, 107, 5186.
10. Roth, M. W.; Pint, C. L.; Wexler, C. Phys. Rev. B 2005, 71, 155427.
11. Pint, C. L.; Roth, M. W.; Wexler, C. Phys. Rev. B 2006, 73, 85422.
12. Connolly, M. J.; Roth, M. W.; Wexler, C.; Gray, P. A. Langmuir 2008, 24, 3228.
13. Firlej, L.; Kuchta, B.; Roth, M. W.; Wexler, C. 2009, arXiv:0902.4422vl. arXiv.org e-Print archive. http://arXiv.org/abs/0902.4422.
14. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; States, S.; Swaminathan, S.; Karplus, M. J. Commit. Chem. 1983, 4, 187. See also http://www. charmm.org.
15. Benz, R. W.; Castro-Román, F.; Tobias, D. J.; White, S. H. Biophys. J. 2005, 88, 805.
16. http://www.wwpdb.org/.
17. Firlej, L.; Kuchta, B.; Roth, M. W.; Connolly, M. J.; Wexler, C. Langmuir 2008, 24, 12392.