Adsorption of potassium and oxygen on graphite: A theoretical study

Journal of Chemical Physics

Volumn 108, Issue 8, 1998, Pages 3332-3341

  Lamoen, D ^a   Persson, B N J ^b,c  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001286747     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475732     Document Type: Article

References (30)

1. Y. Li, K. M. Hock, R. E. Palmer, and J. F. Annett, J. Phys. C3, S103 (1991).
2. H. Ishida and R. E. Palmer, Phys. Rev. B 46, 15484 (1992).
3. K. M. Hock, J. C. Barnard, R. E. Palmer, and H. Ishida, Phys. Rev. Lett. 71, 641 (1993).
4. C. Janiak, R. Hoffman, P. Sjövall, and B. Kasemo, Langmuir 9, 3427 (1993).
5. C. Puglia, P. Bennich, J. Hasselström, P. A. Brüwiler, A. Nilsson, A. J. Maxwell, N. Martensson, and P. Rudolf, Surf. Sci. 383, 149 (1997).
6. E. T. Jensen, R. E. Palmer, W. Allison, and J. F. Annett, Phys. Rev. Lett. 66, 492 (1991).
7. D. W. McKee, Chem. Phys. Carbon 16, 1 (1981).
8. H. Chang and A. J. Bard, J. Am. Chem. Soc. 112, 4598 (1990).
9. P. L. Walker, Carbon 28, 261 (1990).
10. C. Wong, R. T. Yang, and B. L. Halpern, J. Chem. Phys. 78, 3325 (1983).
11. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, ibid. 140. A1133 (1965).
12. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, ibid. 140. A1133 (1965).
13. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
14. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
15. W. Andreoni, P. Giannozzi, and M. Parrinello, Phys. Rev. B 51, 2087 (1995).
16. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
17. CPMD Version 3.0, J. Hutter, P. Ballone, M. Bernasconi, P. Focher, E. Fois, S. Goedecker, M. Parrinello, and M. Tuckerman, MPI für Festkörperforschung and IBM Research, 1990-1996.
18. I. Štich, R. Car, M. Parrinello, and S. Baroni, Phys. Rev. B 39, 4997 (1989).
19. J. Hutter, H. P. Lüthi, and M. Parrinello, Comput. Mater. Sci. 2, 244 (1994).
20. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
21. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
22. A. D. Becke. Phys. Rev. A 38, 3098 (1988).
23. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
24. C. Bungaro, C. Noguera, P. Ballone, and W. Kress, Phys. Rev. Lett. 79, 4433 (1997).
25. F. Ancilotto and F. Toigo, Phys. Rev. B 47, 13713 (1993).
26. J. D. White, J. Cui, M. Strauss, R. D. Diehl, F. Ancilotto, and F. Toigo, Surf. Sci. 307-309, 1134 (1994).
27. I. Mayer, Chem. Phys. Lett. 97, 270 (1983).
28. D. V. Chakarov, P. Sjöval, and B. Kasemo, Surf. Sci. 287, 278 (1993).
29. J. Harris and S. Andersson, Phys. Rev. Lett. 55, 1583 (1985).
30. B. Kasemo (private communication).