Journal of Physical Studies 6(1), 133–138 (2002) DOI: https://doi.org/10.30970/jps.06.133 INVESTIGATIONS OF ADSORPTION OF HYDROGEN, NITROGEN AND OH– GROUP ON TRANSITION-METAL SURFACES I. V. Stasyuk, R. Ya. Stetsiv, I. R. Dulepa Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 1 Svientsitskii Str., Lviv, UA–79011, Ukraine

Calculations of the potential energies of hydrogen, nitrogen and OH$^-$ groups on the transition-metal surfaces are performed by the quantum-chemical method ZINDO/1. Dependences of adiabatic potentials on the distance to surface and adsorbate location are obtained. Adsorption and dissociation processes of such molecules are studied as a function of the metal surface structure. The charges of the adsorbed and own surface atoms are calculated.

PACS number(s): 82.65.Jv; 34.50.Dy

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