Using a combination of density functional theory calculations and X-ray emission and absorption spectroscopy for nitrogen on Cu and Ni surfaces, a detailed picture is given of the chemisorption bond. It is suggested that the adsorption bond strength and hence the activity of transition metal surfaces as catalysts for chemical reactions can be related to certain characteristics of the surface electronic structure.
Similar content being viewed by others
References
M. Boudart, Principles of Heterogeneous Catalysis, in:Handbook of Heterogeneous Catalysis, G. Ertl, H. Knözinger and J. Weitkamp (eds.) (VCH, Weinheim, 1997) (p. 1); G.A. Somorjai, Introduction to Surface Chemistry and Catalysis (John Wiley & Sons, New York, 1994); G. Ertl, in:Catalytic Ammonia Synthesis, J.R. Jennings (ed.) (Plenum, New York, 1991) p. 109; R. Hoffmann, Solids and Surfaces: A Chemist’s View of Bonding in Extended Structures (VCH, New York, 1988)
M.A. Barteau, Catal. Lett. 8 (1991) 175; T. Bligaard, J.K. Nørskov, S. Dahl, J Matthiesen, C.H. Christensen and J.S. Sehested, J. Catal. 224 (2004) 206
A. Logadottir T.H. Rod J.K. Nørskov B. Hammer S. Dahl C.J.H. Jacobsen (2001) J. Catal. 197 229
P Sabatier (1920) La Catalyse en Chimie Organique Bérange Paris
B.I. Lundqvist, O. Gunnarsson, H. Hjelmberg and J.K. Nørskov, Surf. Sci. 89 (1979) 196; B. Hammer and J.K. Nørskov, Nature 376 (1995) 238
T. Wiell J.E. Klepais P. Bennich O. Björneholm N. Wassdahl A. Nilsson (1998) Phys. Rev. B. 58 1655
T. Wiell H. Tillborg A. Nilsson N. Wassdahl N. Mårtensson J. Nordgren (1994) Surf. Sci. 304 L451
E.O.F. Zdansky, A. Nilsson, H. Tillborg, O. Björneholm, N. Mårtensson, J.N. Andersen, and R. Nyholm, Phys. Rev. B 48 (1993) 2632
A. Nilsson L.G.M. Pettersson (2004) Surf. Sci. Reps. 55 49
A. Nilsson M. Weinelt T. Wiell P. Bennich O. Karis N. Wassdahl J. Stöhr M. Samant (1997) Phys. Rev. Lett. 87 2847
Y. Xu, A. Ruban and M. Mavrikakis, J. Am. Chem. Soc. 126 (2004) 4717; M. Gajdos, A. Eichler and J. Hafner, J. Phys. -Cond. Matt. 16 (2004) 1141; O.M. Lovvik and R.A. Olsen, J. Chem. Phys. 118, (2003) 3268; A. Roudgar and A. Gross, Phys. Rev. B 67 (2003) 033409; Y. Gauthier, M. Schmid, S. Padovani, et al. Phys. Rev. Lett. 87 (2001) 036103; V. Pallassana and M. Neurock, J. Catal. 191 (2000) 301; M. Mavrikakis, B. Hammer and J.K.␣Nørskov, Phys. Rev. Lett. 81 (1998) 2819
M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias and J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045; G. Kresse and J.␣Furtmüller, Comp. Mat. Sci. 6 (1996) 15
B. Hammer L.B. Hansen J.K. Nørskov (1999) Phys. Rev. B. 59 7413
D.M. Newns (1969) Phys. Rev. 178 1123
N. Lang A.R. Williams (1978) Phys. Rev. B. 18 616
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Nilsson, A., Pettersson, L.G.M., Hammer, B. et al. The electronic structure effect in heterogeneous catalysis. Catal Lett 100, 111–114 (2005). https://doi.org/10.1007/s10562-004-3434-9
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/s10562-004-3434-9