Chemisorption on Metal Surfaces: Cluster Model Investigations Based on the LCGTO-LDF Method

  • N. Rösch
Part of the NATO ASI Series book series (NSSB, volume 283)


The interaction of atoms and molecules with metal surfaces forms a fascinating subject of great fundamental and technological interest. Corrosion and heterogeneous catalysis may serve as examples to illustrate important application areas where a basic understanding of chemisorption phenomena is helpful. The charm and the challenge of this field is intimately connected to the fact that both molecular (or atomic) and solid state aspects have to be dealt with. Since surface science is now well established,1 it is no wonder that a large variety of theoretical concepts and tools are presently used to order and to describe the many observations. Many theoretical methods have been borrowed from the two ancestral disciplines, molecular chemistry and solid state physics. In such a situation it is of advantage when a method is used in both areas since one may hope, at least in principle, to find a unifying description that applies to both the molecular and the solid state limit equally well.


Vibrational Frequency Point Charge Mulliken Charge Alkali Atom Alkali Metal Atom 


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Copyright information

© Plenum Press, New York 1992

Authors and Affiliations

  • N. Rösch
    • 1
  1. 1.Lehrstuhl für Theoretische ChemieTechnische Universität MünchenGarchingGermany

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