Theoretical study of methylidyne chemisorption on Ni(111) and Co(0001) surfaces

Surface Science

Volumn 425, Issue 2, 1999, Pages 334-342

  Klinke II, D J ^a   Dooling, D J ^a   Broadbelt, L J ^a  

^a Northwestern University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; APPROXIMATION THEORY; BINDING ENERGY; COPPER; HYDROCARBONS; NICKEL; PROBABILITY DENSITY FUNCTION; SURFACE CHEMISTRY;

LINEARIZED AUGMENTED PLANEWAVE CALCULATION; METHYLIDYNE;

CHEMISORPTION;

EID: 0032679061     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)00221-6     Document Type: Article

References (27)

1. Dumesic J.A., Rudd D.F., Aparicio L.M., Rekoske J.E., Treviño A.A. The Microkinetics of Heterogeneous Catalysis. 1993;American Chemical Society, Washington, DC.
2. Benziger J.B. Sustorovich E. Metal-Surface Reaction Energetics. 1991;53-108 VCH, New York.
3. Anderson R.B. The Fischer-Tropsch Synthesis. 1984;Academic Press, New York.
4. Perdew J., Burke K., Ernzerhof M. Phys. Rev. Lett. 77:1996;3865.
5. Blaha P., Schwarz K., Dufek P., Augustyn R. "WIEN95'' A Full Potential Linearized Augmented Plane Wave Package for Calculating Crystal Properties. 1995;Technical University, Vienna.
6. Kohler B., Wilke S., Scheffler M., Kouba R., Ambrosch-Draxl C. Comp. Phys. Commun. 94:1996;31.
7. Yang Q.Y., Maynard K.J., Johnson A.D., Ceyer S.T. J. Chem. Phys. 102:1995;7734.
8. Koerts T., van Santen R.A. J. Mol. Catal. 74:1992;185.
9. van Santen R.A., Neurock M. Catal. Rev.-Sci. Eng. 37:1995;557.
10. Yang H., Whitten J.L. Surf. Sci. 255:1991;193.
11. de Koster A., van Santen R.A. J. Catal. 127:1991;141.
12. Burghgraef H., Jansen A.P.J., van Santen R.A. Surf. Sci. 324:1995;345.
13. Mijoule C., Baba M.F., Russier V. J. Mol. Catal. 83:1993;367.
14. Mlynarski P., Salahub D. J. Chem. Phys. 95:1991;6050.
15. Swang O., Faegri K. Jr., Gropen O., Wahlgren U. Int. J. Quant. Chem. 57:1996;105.
16. Benziger J.B., Madix R.J. J. Catal. 74:1982;67.
17. Shustorovich E. Metal-Surface Reaction Energetics. 1991;VCH, New York.
18. Bell A.T. Shustorovich E. Metal-Surface Reaction Energetics. 1991;191-228 VCH, New York.
19. Shustorovich E., Bell A.T. Surf. Sci. 248:1991;359.
20. Shustorovich E. Advances in Catalysis. Vol. 37:1990;101-163 Academic Press, New York.
21. Singh D.J. Planewaves, Pseudopotentials and the LAPW Method. 1994;Kluwer Academic, Boston, MA.
22. Hoffmann R. Rev. Mod. Phys. 60:1988;601.
23. Cohen M., Ganduglia-Pirovano M., Kudrnovský J. Phys. Rev. Lett. 72:1994;3222.
24. CRC Handbook of Chemistry and Physics. 78th Ed. 1997;CRC Press, New York.
25. Klinke D.J. II, Wilke S., Broadbelt L.J. J. Catal. 178:1998;540.
26. D.J. Klinke, S. Wilke, L.J. Broadbelt, in press.
27. Siegbahn P.E.M., Panas I. Surf. Sci. 240:1990;37.