First principle study on the adsorption of styrene on Si(100)2 × 1

Journal of Physical Chemistry C

Volumn 113, Issue 13, 2009, Pages 5263-5273

  Zhang, Q J ^a   Liu, Z F ^a  

^a CHINESE UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION STRUCTURES; CHIRAL STRUCTURES; COMPARISON WITH EXPERIMENTS; DENSITY FUNCTIONAL; DOUBLE BONDS; FIRST-PRINCIPLE STUDIES; REACTION BARRIERS; SI DIMERS; SI(1 0 0 ); SIMULATED IMAGES; SLAB MODELS; STM IMAGES; VIBRATIONAL FREQUENCIES; VINYL GROUPS;

ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; MODEL STRUCTURES; OLIGOMERS; STYRENE;

SILICON;

EID: 65249179442     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp809472p     Document Type: Article

References (39)

1. Wolkow, R. A. Annu. Rev. Phys. Chem. 1999, 50, 413-441.
2. Bent, S. F. Surf. Sci. 2002, 500, 879-903.
3. Lu, X.; Lin, M. C. Int. Rev. Phys. Chem. 2002, 21, 137-184.
4. Liu, Q.; Hoffmann, R. J. Am. Chem. Soc. 1995, 117, 4082-4092.
5. Healy, S. B.; Filippi, C.; Kratzer, P.; Penev, E.; Scheffler, M. Phys. Rev. Lett. 2001, 87, 016105.
6. Yang, C.; Kang, H. C. J. Chem. Phys. 1999, 110, 11029-11037.
7. Penev, E.; Kratzer, P.; Scheffler, M. J. Chem. Phys. 1999, 110, 3986-3994.
8. Konecny, R.; Doren, D. J. J. Chem. Phys. 1997, 106, 2426-2435.
9. Hess, J. S.; Doren, D. J. J. Chem. Phys. 2000, 113, 9353-9354.
10. Shoemaker, J.; Burggraf, L. W.; Gordon, M. S. J. Chem. Phys. 2000, 112, 2994-3005.
11. Fan, X. L.; Zhang, Y. F.; Lau, W. M.; Liu, Z. F. Phys. Rev. B 2005, 72, 165305.
12. Zhang, Q. J.; Wang, J. L.; Liu, Z. F. J. Phys. Chem. C 2007, 111, 6365-6371.
13. Lopinski, G. P.; Wayner, D. D. M.; Wolkow, R. A. Nature 2000, 406, 48-51.
14. Yang, L.; Doren, D. J. J. Phys. Chem. C 2008, 112, 781-785.
15. Zikovsky, J.; Dogel, S. A.; Haider, A. B.; DiLabio, G. A.; Wolkow, R. A. J. Phys. Chem. A 2007, 111, 12257-12259.
16. Kang, J. K.; Musgrave, C. B. J. Chem. Phys. 2002, 116, 9907- 9913.
17. Cho, J. H.; Oh, D. H.; Kleinman, L. Phys. Rev. B 2002, 65, 081310.
18. Schwartz, M. P.; Ellison, M. D.; Coulter, S. K.; Hovis, J. S.; Hamers, R. J. J. Am. Chem. Soc. 2000, 122, 8529-8538.
19. Li, Q.; Leung, K. T. J. Phys. Chem. B 2005, 109, 1420-1429.
20. Hwang, Y. J.; Kim, A.; Hwang, E. Y.; Kim, S. J. Am. Chem. Soc. 2005, 127, 5016-5017.
21. Calzolari, A.; Ruini, A.; Molinari, E.; Caldas, M. J. Phys. Rev. B 2006, 73, 125420.
22. Wang, Y.; Ma, J.; Inagaki, S.; Pei, Y. J. Phys. Chem. B 2005, 109, 5199-5206.
23. Cohen, M. L. Phys. Rep.-Rev. Sect. Phys. Lett. 1984, 110, 293- 309.
24. Payne, M. C.; Teter, M. P.; Allan, D. C.; Arias, T. A.; Joannopoulos, J. D. Rev. Modern Phys. 1992, 64, 1045-1097.
25. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 48, 13115-13118.
26. Kresse, G.; Hafner, J. J. Phys. Condens. Matter 1994, 6, 8245- 8257.
27. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169-11186.
28. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671- 6687.
29. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892-7895.
30. Jonsson, H. Annu. Rev. Phys. Chem. 2000, 51, 623-653.
31. Henkelman, G.; Uberuaga, B. P.; Jonsson, H. J. Chem. Phys. 2000, 113, 9901-9904.
32. Henkelman, G.; Jonsson, H. J. Chem. Phys. 2000, 113, 9978-9985.
33. Morrison, I.; Li, J. C.; Jenkins, S.; Xantheas, S. S.; Payne, M. C. J. Phys. Chem. B 1997, 101, 6146-6150.
34. Wolkow, R. A.; Lopinski, G. P.; Moffatt, D. J. Surf. Sci. 1998, 416, L1107-L1113.
35. Silvestrelli, P. L.; Ancilotto, F.; Toigo, F. Phys. Rev. B 2000, 62, 1596-1599.
36. Alavi, S.; Rousseau, R.; Seideman, T. J. Chem. Phys. 2000, 113, 4412-4423.
37. Bondi, A. J. Phys. Chem. 1966, 70, 3006-&.
38. Rowland, R. S.; Taylor, R. J. Phys. Chem. 1996, 100, 7384-7391.
39. Tersoff, J.; Hamann, D. R. Phys. Rev. B 1985, 31, 805-813.