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To the quantum theory of chemical activity of the surface of transition metals

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Abstract

The dissociation of a gas molecule and the formation of a new chemical bond upon adsorption of this molecule on the surface of a transition metal are studied using the method of equations of motion. It is shown that both processes involve the formation of a mixed intermediate state during the adsorbate-substrate interaction. The dissociation is caused by a resonance growth of the vibrational mode, whereby the dissociation barrier is determined by the hybridization energy and by the frequency of electron transitions between molecular levels and the d electron energy levels of the metal in the mixed intermediate state. The resonance conditions for the formation of new surface structures are established.

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Authors and Affiliations

  1. Institute of Strength Physics and Materials Science, Siberian Division, Russian Academy of Sciences, Tomsk, 634021, Russia

    V. E. Egorushkin, S. E. Kul’kova, N. V. Mel’nikova & A. N. Ponomarev

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  1. V. E. Egorushkin
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  2. S. E. Kul’kova
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  3. N. V. Mel’nikova
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  4. A. N. Ponomarev
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Translated from Zhurnal Éksperimental’no\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) i Teoretichesko\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) Fiziki, Vol. 128, No. 2, 2005, pp. 403–410.

Original Russian Text Copyright © 2005 by Egorushkin, Kul’kova, Mel’nikova, Ponomarev.

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Egorushkin, V.E., Kul’kova, S.E., Mel’nikova, N.V. et al. To the quantum theory of chemical activity of the surface of transition metals. J. Exp. Theor. Phys. 101, 350–356 (2005). https://doi.org/10.1134/1.2047801

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  • DOI: https://doi.org/10.1134/1.2047801

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