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Reaction Kinetics and Catalysis Letters

, Volume 14, Issue 3, pp 265–271 | Cite as

Palladium adsorption on MgO surface a theoretical model

  • T. Paryjczak
  • K. Bartczak
  • S. Wysocki
Article
  • 25 Downloads

Abstract

The bonding energy of Pd atom with the MgO crystal surface has been calculated using semiempirical atomic potentials. The greatest energy for a perfect surface was found for the Pd atom placed over the Mg2+ ion (0.35 eV). The bonding energies for surfaces with Mg2+ or O2- vacancies are 2.7 eV and 4.6 eV, respectively.

Keywords

Physical Chemistry Catalysis Theoretical Model Palladium Bonding Energy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Abstract

С использованием полуэмпирических атомных потенциалов была рассчитана энергия связи атома Pd с поверхностью кристалла MgO. Как было найдено, в случае идеальной поверхности самая большая энергия получается для атома Pd над ионом Mg+2 (0,35 эв). Для взаимодействия Pd с вакансией по O−2 или Mg+2 получают, соответственно, 4,6, эв и 2,7 эв.

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Copyright information

© Akadémiai Kiadó 1980

Authors and Affiliations

  • T. Paryjczak
    • 1
  • K. Bartczak
    • 2
  • S. Wysocki
    • 3
  1. 1.Technical University of Lódz, Institute of General ChemistryLódzPoland
  2. 2.Technical University of Lódz Institute of PhysicsLódzPoland
  3. 3.Technical University of Lódz Institute of Food ChemistryLódzPoland

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