Density functional study of the structural and electronic properties of RuS2(111): II. Hydrogenated surfaces

Surface Science

Volumn 457, Issue 1, 2000, Pages 285-293

  Grillo, M E ^a   Sautet, P ^b,c  

^a PDVSA INTEVEP   (Venezuela)

^b INST DE RECHERCHES SUR LA CATALYSE   (France)

^c UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMISORPTION; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC STRUCTURE; GROUND STATE; HYDROGENATION; INTERFACIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RELAXATION PROCESSES; SINGLE CRYSTALS; STOICHIOMETRY;

AB INITIO QUANTUM CHEMICAL CALCULATIONS; LOW INDEX SINGLE CRYSTAL SURFACES; SEMICONDUCTING SURFACES; SULPHIDES; SURFACE RECONSTRUCTION;

RUTHENIUM COMPOUNDS;

EID: 0033688444     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(00)00387-3     Document Type: Article

References (28)

1. Lacroix M., Boutarfa N., Guillard C., Vrinat M., Breysse M. Catal. 120:1989;473.
2. Lacroix M., Marrakchi H., Calais C., Breysse M., Forquy C. Guisnet M., et al. Heterogeneous Catalysis and Fine Chemicals. Vol. II:1991;277 Elsevier, Amsterdam.
3. Lacroix M., Yuan S., Breysse M., Doremieux-Morin C., Fraissard J. J. Catal. 138:1992;409.
4. Jobic H., Clugnet C., Lacroix M., Yuan S., Mirodatos C., Breysse M. J. Am. Chem. Soc. 115:1993;3654.
5. Breysse M., Geantet C., Lacroix M., Portefaix J.-L., Vrinat M. Occelli M.L., Chianelli R. Hydrotreating Technology for Pollution Control. 1996;Marcel Dekker.
6. Colell H., Bronold M., Fiechter S., Tributsch H. Surf. Sci. Lett. 303:1994;361.
7. Frechard F., Sautet P. Surf. Sci. 336:1995;149.
8. Frechard F., Sautet P. Surf. Sci. 389:1997;131.
9. Weimer M., Kramar J., Bai C., Baldeschwieler J.D. Phys. Rev. B. 37:1985;4292.
10. Qin X.R., Yang D., Frindt R.F. Phys. Rev. B. 44:1991;3490.
11. Grillo M.E., Smelyanski V., Sautet P., Hafner J. Surf. Sci. 439:1999;163.
12. Kresse G., Hafner J. Phys. Rev. B. 47:1993;588.
13. Kresse G., Hafner J. Phys. Rev. B. 49:1994;251.
14. Kresse G., Furthmüller J. Comput. Mater. Sci. 6:1996;15.
15. Kresse G., Furthmüller J. Phys. Rev. B. 54:(11):1996;169.
16. Vanderbilt D. Phys. Rev. B. 41:1990;7892.
17. Kresse G., Hafner J. J. Phys. Condens. Matter. 6:1994;8245.
18. Perdew J.P., Zunger A. Phys. Rev. B. 23:1981;5048.
19. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., Fiolhais C. Phys. Rev. B. 46:1992;6671.
20. Frechard F., Sautet P. J. Catal. 170:1997;402.
21. Eichler A., Hafner J., Kresse G. Surf. Sci. 346:1996;300.
22. Eichler A., Kresse G., Hafner J. Phys. Rev. Lett. 77:1996;1119.
23. C. Geantet, M. Lacroix (private communication).
24. Wang X.-G., Weiss W., Shaikhutdinov Sh.K., Ritter M., Petersen M., Wagner F., Schlögl R., Scheffler M. Phys. Rev. Lett. 81:1998;1038.
25. Cho J.H., Scheffler M. Phys. Rev. Lett. 78:1997;1299.
26. Bianchini C., Meli A., Moneti S., Vizza F. Organometallics. 17:1998;2636.
27. Olguin Orozco E., Vrinat M. Appl. Catal. A:1997;4089.
28. Anderson A.B., Al-Saigh Z.Y., Hall W.K. J. Phys. Chem. 92:1988;803.