Palladium adsorption on MgO surface a theoretical model |
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| Authors: | T Paryjczak K Bartczak and S Wysocki |
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| Institution: | (1) Technical University of Lódz, Institute of General Chemistry, Lódz, Poland;(2) Technical University of Lódz Institute of Physics, Lódz, Poland;(3) Technical University of Lódz Institute of Food Chemistry, Lódz, Poland |
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| 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.
                         Pd  MgO.    ,  Pd Mg+2 (0,35 ).  Pd O–2 Mg+2 , , 4,6, 2,7 .
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