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


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.


Physical Chemistry Catalysis Theoretical Model Palladium Bonding Energy 
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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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