Density-Functional Study of Methanol Adsorption on the Al(100) Surface

Physics of the Solid State

Volumn 45, Issue 12, 2003, Pages 2218-2224

  Zaitsev A L ^a   Detraux, F ^b   Pleskachevskii Yu M ^a   Gonze, X ^b  

^a INSTITUTE FOR MATHEMATICS   (Belarus)

^b UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0346937522     PISSN: 10637834     EISSN: None     Source Type: Journal    
DOI: 10.1134/1.1635488     Document Type: Article

References (26)

1. L. Martin and W. Brockmann, in Proceedings of 3rd International Conference EURADH96, Cambridge, UK (1996), p. 595.
2. W. Nitschke, Surf. Interface Anal. 16, 247 (1990).
3. A. L. Zaitsev, Double Liason 495-496, 9 (1994).
4. R. M. Dreizler and E. K. U. Gross, Density-Functional Theory: An Approach to Approach to the Quantum Many-Body Problem (Springer, Berlin, 1990).
5. H. Kuhlenbeck and H.-J. Freund, in Metal-Ligand Interaction: From Atoms to Clusters, to Surface, Ed. by D. R. Salahub and Nino Russo (Kluwer Academic, Dordrecht, 1992), pp. 37-70.
6. P. Hogenberg and W. Kohn, Phys. Rev., Sect. B 136, 864 (1964).
7. W. Kohn and L. J. Sham, Phys. Rev., Sect. A 140, 1133 (1965).
8. M. C. Payne, M. P. Teter, D. C. Allan, et al., Rev. Mod. Phys. 64, 1045 (1992).
9. http://www.pcpm.ucl.ac.be/ABINIT.
10. X. Gonze, Phys. Rev. B 54, 4383 (1996).
11. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
12. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
13. A. Khein and D. C. Allan, private communication; http://www.abinit.org/ABINIT/Psps/LDA_TM/lda.html.
14. W. K. Press, B. F. Flannery, S. A. Teukolsky, and W. T. Vettering, Numerical Recipes. The Art of Scientific Computing (Cambridge Univ. Press, Cambridge, 1989), p. 308.
15. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
16. N. Marzari, PhD Dissertation (Univ. of Cambridge, 1996); http://www.physics.rutgers.edu/iñmarzari/preprints.
17. N. Marzari, D. Vanderbilt, A. De Vita, and M. C. Payne, Phys. Rev. Lett. 82, 3296 (1999).
18. V. Missol, Energia Powierzchni Rozdialu Faz w Metalach (Slǎsk, Katowice, 1976; Metallurgiya, Moscow, 1978).
19. C. J. Smithells, Metals: Reference Book, 5th ed. (Butterworths, London, 1976; Metallurgiya, Moscow, 1980).
20. Chemical Encyclopedia (Bol'shaya Rossiǐskaya Éntsiklopediya, Moscow, 1992), Vol. 3.
21. J. E. Whitten,C.E. Young,M.J. Pellin,D.M. Gruen, Surf. Sci. 282, 97 (1993).
22. P. A. Hackett, S. A. Mitchell, D. M. Rayner, and B. Simard, in Metal-Ligand Interaction, Structure, and Reactivity, Ed. by D. R. Salahub and Nino Russo (Kluwer Academic, Dordrecht, 1992), Ser. C, Vol. 474, pp. 289-324.
23. L. T. Sein and S. A. Jansen, J. Phys. Chem. B 102, 2415 (1998).
24. J. M. Wittbrodt, W. L. Hase, and H. B. Schlegel, J. Phys. Chem. B 102, 6539 (1998).
25. H. Tachikawa and T. J. Tsuchida, Mol. Catal. A 277 (1995).
26. D. Farasiu and P. Lukinskas, J. Phys. Chem. A 103 (42), 8483 (1999).