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Theory of Chemisorption on Transition Metals in Relation with Heterogenous Catalysis

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Abstract

The strength of the chemisorptive bond is shown to be closely correlated to the local electronic structure of the metal catalyst depending on roughness and size. First, one emphasis is that surface atomic sites with a low coordination number have striking modifications from the bulk in their electronic properties. Surface relaxation effects are also studied. Surface bond lengths are more shortened for rougher surfaces. Similar conclusions are obtained for transition metal clusters which also show a contraction, larger for the smaller clusters. The influence of spin orbit is also discussed and is shown to be important for the third series. Then trends and order of magnitude of the binding energies of simple gases, such as hydrogen, oxygen and sulphur are calculated and results explain the experimental facts. Finally, dissociative and molecular adsorption of diatomic molecules are discussed. Dissociative adsorption is a thermodynamic phenomena and appears only at finite temperature.

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Author information

Authors and Affiliations

  1. Groupe des Transition de Phases, C.N.R.S., B.P. 166, 38042, Grenoble Cedex, France

    F. Cyrot-Lackmann

Authors
  1. F. Cyrot-Lackmann
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Editor information

Editors and Affiliations

  1. Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, 02139, USA

    R. M. Latanision

  2. Martin Marietta Laboratories, 1450 South Rolling Road, Baltimore, Maryland, 21227, USA

    J. R. Pickens

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© 1983 Plenum Press, New York

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Cyrot-Lackmann, F. (1983). Theory of Chemisorption on Transition Metals in Relation with Heterogenous Catalysis. In: Latanision, R.M., Pickens, J.R. (eds) Atomistics of Fracture. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-3500-9_10

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  • DOI: https://doi.org/10.1007/978-1-4613-3500-9_10

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-3502-3

  • Online ISBN: 978-1-4613-3500-9

  • eBook Packages: Springer Book Archive

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