III International Conference

PP-I-67account an influence of oxygen or carbon near-surface lattice atoms on CO adsorptionperformance; however, as well as in [1], better qualitative and quantitative agreement ofadsorption energy estimated values with experimental data (and ab initio results also) isachieved by IBM. At the same time, IBM inherent defects (inaccessibility of chemicalaccuracy in general, inability a priori to predict preferable coordination molecular adsorbate)are kept; a probable way of their overcoming is a revision of simplifications made at thederivation of the IBM basic equation.References1. Kuz’min А.Е./VII Conference «Мechanisms of Catalytic Reactions», Jul. 3-8 2006,St. Petersburg. Abstracts, p. 4152. Bulgakov N.N., Borisov Yu.A., Popovsky V.V./ Кinet. Catal. (Russ. Ed.), 1973, v.14, p.4683. Shustorovich E., Sellers H./ Surf. Sci. Rep, 1998, v.31, p.1128