Structure and dynamics of tetrahalomethane adsorption on (001) surfaces of graphite and α-quartz

Journal of Physical Chemistry B

Volumn 114, Issue 44, 2010, Pages 13970-13981

  Leuty, Gary M ^a   Tsige, Mesfin ^a,b  

^a SOUTHERN ILLINOIS UNIVERSITY   (United States)

^b The University of Akron   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; GRAPHITE; HYDROXYLATION; MOLECULAR DYNAMICS; SUBSTRATES;

ADSORPTION CHARACTERISTIC; DIFFERENT SUBSTRATES; DYNAMIC PROPERTY; EFFECT OF TEMPERATURE; FILM LAYERS; HALOMETHANES; MOLECULAR DYNAMICS SIMULATIONS; MULTILAYER ADSORPTION; STRUCTURE AND DYNAMICS; SURFACE CHARACTERISTICS; TETRAHALOMETHANE;

QUARTZ;

EID: 78149248038     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1065049     Document Type: Article

References (36)

1. Kirsch, P. Modern Fluoroorganic Chemistry: Synthesis, Reactivity, Applications; Wiley-VCH: Weinheim, Germany, 2004.
2. O'Hagan, D. Chem. Soc. Rev. 2008, 37, 308-319
3. Kjaer, K.; Nielsen, M.; Bohr, J.; Lauter, H. J.; McTague, J. P. Phys. Rev. B 1982, 26, 5168-5174
4. Pinches, M. R. S.; Tildesley, D. J. Surf. Sci. 1996, 367, 177-195
5. Zhang, Q. M.; Kim, H. K.; Chan, M. H. W. Phys. Rev. B 1986, 34, 2056-2059
6. Zhang, Q. M.; Kim, H. K.; Chan, M. H. W. Phys. Rev. B 1986, 34, 8050-8063
7. Nham, H. S.; Drir, M.; Hess, G. B. Phys. Rev. B 1987, 35, 3675-3678
8. Bruch, L. W. J. Chem. Phys. 1987, 87, 5518-5527
9. Heroux, L.; Krungleviciute, V.; Calbi, M. M.; Migone, A. D. J. Phys. Chem. B 2006, 110, 12597-12602
10. Yaws, C. L. Thermophysical Properties of Chemicals and Hydrocarbons; William Andrew/Elsevier: Norwich, NY, U.S., 2008.
11. Connolly, M. J.; Roth, M. W.; Gray, P. A.; Wexler, C. Langmuir 2008, 24, 3228-3234
12. Gus'kova, O. A.; Mena-Osteritz, E.; Schillinger, E.; Khalatur, P. G.; Bäuerle, P.; Khokhlov, A. R. J. Phys. Chem. C 2007, 111, 7165-7174
13. Maolin, S.; Fuchun, Z.; Guozhong, W.; Haiping, F.; Chunlei, W.; Shimou, C.; Yi, Z.; Jun, H. J. Chem. Phys. 2008, 128, 134504
14. Tsige, M.; Soddemann, T.; Rempe, S. B.; Grest, G. S.; Kress, J. D.; Robbins, M. O.; Sides, S. W.; Stevens, M. J.; Webb, E. J. Chem. Phys. 2003, 118, 5132-5142
15. Tsige, M.; Patnaik, S. S. Chem. Phys. Lett. 2008, 457, 357-361
16. Watkins, E. K.; Jorgensen, W. L. J. Phys. Chem. 2001, 105, 4118-4125
17. Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. J. Am. Chem. Soc. 1996, 118, 11225-11236
18. Plimpton, S. J. J. Comput. Phys. 1995, 117, 1-19 may be found at lammps.sandia.gov
19. Hockney, R. W.; Eastwood, J. W. Computer Simulation Using Particles; Taylor & Francis Group: New York, NY, U.S., 1988.
20. Kudchadker, A. P.; Kudchadker, S. A.; Patnaik, P. R.; Mishra, P. P. J. Phys. Chem. Ref. Data 1978, 7, 425-439
21. Xiang, H. W. J. Phys. Chem. Ref. Data 2002, 30, 1161-1197
22. Weimer, W.; Knorr, K.; Wiechert, H. Phys. Rev. Lett. 1988, 61, 1623-1626
23. Sakata, M.; Cowlam, N.; Davies, H. A. J. Phys. F: Met. Phys. 1979, 9, 235-240
24. Szczygielska, A.; Burian, A.; Duber, S.; Dore, J. C.; Honkimaki, V. J. Alloys Compd. 2001, 328, 231-236
25. Knorr, K.; Fassbender, S.; Warken, A.; Arndt, D. J. Low Temp. Phys. 1998, 111, 339-348
26. Pawley, G. S.; Hewat, A. W. Acta Crystallogr. 1985, B41, 136-139
27. Leuty, G.; Nehring, J.; Tsige, M. Surf. Sci. 2009, 603, 3374-3381
28. Fassbender, S.; Enderle, M.; Knorr, K.; Noh, J. D.; Rieger, H. Phys. Rev. B 2002, 65, 165411
29. Humphrey, W.; Dalke, A.; Schulten, K. J. Mol. Graph. 1996, 14, 33-38
30. Yang, J.; Wang, E. G. Phys. Rev. B 2006, 73 035406
31. Miranda, J. M. G.; Torra, V. J. Phys. F: Met. Phys. 1983, 13, 281-289
32. Yoon, B. J.; Jhon, M. S.; Eyring, H. Proc. Natl. Acad. Sci. U. S. A. 1981, 78, 6588-6591
33. Marzec, M.; Kuchta, B.; Firlej, L. J. Mol. Model. 2007, 13, 537-542
34. Hung, F. R.; Coasne, B.; Santiso, E. E.; Gubbins, K. E.; Siperstein, F. R.; Sliwinska-Bartkowiak, M. J. Chem. Phys. 2005, 122, 144706
35. Impey, R. W.; Madden, P. A.; McDonald, I. R. J. Phys. Chem. 1983, 87, 5071-5083
36. Gladyszewski, L. Vacuum 1995, 46, 407-409