Adsorption of atomic and molecular oxygen on Cu(1 0 0)

Catalysis Today

Volumn 100, Issue 3-4, 2005, Pages 403-406

  Puisto, A ^a   Pitkanen H ^a   Alatalo, M ^a   Jaatinen, S ^b   Salo, P ^b   Foster, A S ^b   Kangas, T ^c   Laasonen, K ^c  

^a LAPPEENRANTA UNIVERSITY OF TECHNOLOGY   (Finland)

^b AALTO UNIVERSITY   (Finland)

^c UNIVERSITY OF OULU   (Finland)

Author keywords

Copper; Density functional calculations; Oxidation; Oxygen

Indexed keywords

APPROXIMATION THEORY; COPPER; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; OXIDATION; OXYGEN; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL CALCULATIONS; ELBOW PLOTS; MOLECULAR OXYGEN; SUBSURFACE OXYGEN;

ADSORPTION;

EID: 17444384882     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2004.09.072     Document Type: Conference Paper

References (20)

1. H. Over, Y.D. Kim, A.P. Seitsonen, S. Wendt, E. Lundgren, M. Schmid, P. Varga, A. Morgante, and G. Ertl Science 287 2000 1474
2. N. Cabrera, and N.F. Mott Rep. Prog. Phys. 12 1948 163
3. J.C. Yang, B. Kolasa, J.M. Gibson, and M. Yeadon Appl. Phys. Lett. 73 1998 2841
4. G. Zhou, and J.C. Yang Phys. Rev. Lett. 89 2002 106101
5. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
6. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
7. G. Kresse, and J. Furthmüller Phys. Rev. B 54 1996 11169
8. D. Vanderbilt Phys. Rev. B 41 1990 7892
9. G. Kresse, and J. Hafner J. Phys. Condens. Matter 6 1994 8245
10. P. Ordejón, E. Artacho, and J.M. Soler Phys. Rev. B 53 1996 10441
11. J.M. Soler, E. Artacho, J.D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal J. Phys.: Condens. Matter 14 2002 2745
12. D.R. Hamann, M. Schlüter, and C. Chiang Phys. Rev. Lett. 42 1979 1494
13. G.B. Bachelet, D.R. Hamann, and M. Schlüter Phys. Rev. B 26 1982 4199
14. N. Troullier, and J.L. Martins Phys. Rev. B 43 1991 1993
15. M. Wuttig, R. Franchy, and H. Ibach Surf. Sci. 213 1989 103
16. P. Junell, M. Ahonen, M. Hirsimäki, and M. Valden Surf. Rev. Lett. 11 2004 457
17. T. Kangas, K. Laasonen, A. Puisto, H. Pitkänen, M. Alatalo, Surf. Sci., submitted for publication.
18. M. Gajdoš, A. Eichler, and J. Hafner Surf. Sci. 531 2003 272
19. M. Alatalo, S. Jaatinen, P. Salo, and K. Laasonen Phys. Rev. B 70 2004 245417
20. S.Y. Liem, J.H.R. Clarke, and G. Kresse Surf. Sci. 459 2000 104