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The Adsorption of Acetylene and Ethylene on Transition Metal Surfaces

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Theoretical Aspects of Heterogeneous Catalysis

Part of the book series: Progress in Theoretical Chemistry and Physics ((PTCP,volume 8))

Abstract

The density functional theory and the cluster model approach enable the quantitative computational analysis of the adsorption of small chemical species on metal surfaces. Two studies are presented, one concerning the adsorption of acetylene on copper (100) surfaces, the other concerning the adsorption of ethylene on the (100) surfaces of nickel, palladium and platinum. These studies support the usefulness of the cluster model approach in studies of heterogeneous catalysis involving transition metal catalysts.

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Author information

Authors and Affiliations

  1. Cequp/Departamento de Quimica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre, 687, 4150, Porto, Portugal

    C.G.P.M. Bernardo & J.A.N.F. Gomes

Authors
  1. C.G.P.M. Bernardo
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  2. J.A.N.F. Gomes
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Editor information

Editors and Affiliations

  1. Harvard University, Cambridge, MA, USA

    W. N. Lipscomb

  2. Université Libre de Bruxelles, Belgium

    I. Prigogine

  3. Laboratoire de Chimie Physique, Paris, France

    J. Maruani

  4. Rutherford Appleton Laboratory, Oxfordshire, UK

    S. Wilson

  5. Royal Institute of Technology, Stockholm, Sweden

    H. Ågren

  6. Hebrew University of Jerusalem, Israel

    D. Avnir

  7. Florida State University, Tallahassee, FL, USA

    J. Cioslowski

  8. European Academy of Sciences, Paris, France

    R. Daudel

  9. Universität Würzburg, Am Hubland, Germany

    E. K. U. Gross

  10. ETH-Zentrum, Zürich, Switzerland

    W. F. van Gunsteren

  11. University of Tokyo, Japan

    K. Hirao

  12. Komensky University, Bratislava, Slovakia

    I. Hubač

  13. Tulane University, New Orleans, LA, USA

    M. P. Levy

  14. Simon Fraser University, Burnaby, BC, Canada

    G. L. Malli

  15. Università di Pisa, Italy

    R. McWeeny

  16. University of Saskatchewan, Saskatoon, SK, Canada

    P. G. Mezey

  17. Instituto de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro, Brazil

    Marco Antonio Chaer Nascimento

  18. Polish Academy of Sciences, Poznan, Poland

    J. Rychlewski

  19. Yeshiva University, Bronx, NY, USA

    S. D. Schwartz

  20. Instituto de Estructura de la Materia, Madrid, Spain

    Y. G. Smeyers

  21. Cancer Research Center, Heidelberg, Germany

    S. Suhai

  22. Uppsala University, Sweden

    O. Tapia

  23. University of California, La Jolla, CA, USA

    P. R. Taylor

  24. Nottingham Trent University, UK

    R. G. Woolley

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© 2001 Kluwer Academic Publishers

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Bernardo, C., Gomes, J. (2001). The Adsorption of Acetylene and Ethylene on Transition Metal Surfaces. In: Lipscomb, W.N., et al. Theoretical Aspects of Heterogeneous Catalysis. Progress in Theoretical Chemistry and Physics, vol 8. Springer, Dordrecht. https://doi.org/10.1007/0-306-47667-3_9

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  • DOI: https://doi.org/10.1007/0-306-47667-3_9

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-1-4020-0127-7

  • Online ISBN: 978-0-306-47667-9

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