Hydrogen catalyzed adsorption of alkenes on the diamond (001) surface

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 19, 2003, Pages

  Cho, Jun Hyung ^a,b   Kleinman, Leonard ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b Hanyang University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ALKENE; DIAMOND; ETHYLENE; HYDROGEN; SILICON;

ADSORPTION; ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; MATHEMATICAL ANALYSIS; REACTION ANALYSIS;

EID: 2942713408     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.195413     Document Type: Article

References (30)

1. R.B. Woodward and R. Hoffmann, The Conservation of Orbital Symmetry (Academic Press, New York, 1970).
2. M. Jacoby, Chem. Eng. News 78, 32 (2000).
3. R.A. Wolkow, Annu. Rev. Phys. Chem. 50, 413 (1999), and references therein.
4. R.J. Hamers, S.K. Coulter, M.D. Ellison, J.S. Hovis, D.F. Padowitz, M.P. Schwartz, C.M. Greenlief, and J.N. Russell, Acc. Chem. Res. 33, 617 (2000).
5. R. Konečcny and D.J. Doren, Surf. Sci. 417, 169 (1998).
6. Q. Liu and R.J. Hoffmann, J. Am. Chem. Soc. 117, 4082 (1995).
7. H. Liu and R. Hamers, J. Am. Chem. Soc. 119, 7593 (1997).
8. R.J. Hamers, J.S. Hovis, S. Lee, H. Liu, and J. Shan, J. Phys. Chem. 101, 1489 (1997);
9. J.S. Hovis, H. Liu, and R.J. Hamers, Surf. Sci. 402, 1 (1998).
10. K. Hamaguchi, S. Machida, M. Nagao, F. Yasui, K. Mukai, Y. Yamashita, J. Yoshinobu, H.S. Kato, H. Okuyama, M. Kawai, T. Sato, and M. Iwatsuki, J. Phys. Chem. 105, 3718 (2001).
11. J.S. Hovis and R.J. Hamers, J. Phys. Chem. 101, 9581 (1997).
12. C.H. Choi and M.S. Gordon, J. Am. Chem. Soc. 121, 11311 (1999).
13. D.C. Sorescu and K.D. Jordan, J. Phys. Chem. 104, 8259 (2000).
14. J.-H. Cho and L. Kleinman, Phys. Rev. B 64, 235420 (2001).
15. J.S. Hovis, S.K. Coulter, R.J. Hamers, M.P. D’Evelyn, J.N. Russell, Jr. And J.E. Butler, J. Am. Chem. Soc. 122, 732 (2000); (2000), reply to Ref. 15, see http://pubs.acs.org/journals/jacsat/comread.html.
16. M. Carbone, J. Am. Chem. Soc. (2000), comment on Ref. 14, see http://pubs.acs.org/journals/jacsat/comread.html.
17. G. Dujardin, G. Comtet, L. Hellner, T. Hirayama, M. Rose, L. Philippe, and M.-J. Besnard-Ramage, Phys. Rev. Lett. 73, 1727 (1994).
18. Ph. Avouris and D. Cahill, Ultramicroscopy 42, 838 (1992).
19. J.-H. Cho and L. Kleinman, Phys. Rev. B 65, 245407 (2002).
20. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964);
21. W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
22. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
23. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990);
24. Phys. Rev. B. K. Laasonen, A. Pasquarello, R. Car, C. Lee, and D. Vanderbilt, 47, 10142 (1993).
25. N. Troullier and J.L. Martins, Phys. Rev. B 43, 1993 (1991).
26. M.J.S. Dewar and S. Kirschner, J. Am. Chem. Soc. 96, 5246 (1974).
27. J.-H. Cho, D.H. Oh, K.S. Kim, and L. Kleinman, J. Chem. Phys. 116, 3800 (2002).
28. J.-H. Cho and L. Kleinman (unpublished).
29. D.A. Wismer and R. Chattery, Introduction to Nonlinear Optimization (North-Holland, Amsterdam, 1978), pp. 174–178.
30. R.I. Masel, Principles of Adsorption and Reaction on Solid Surfaces (Wiley, New York, 1996), p. 607.