Condensed Matter Physics, 1999, vol. 2, No. 3(19), p. 561-576, English
DOI:10.5488/CMP.2.3.561

Title: THE ENHANCED CATALYTIC DISSOCIATION OF ADSORBED HYDROGEN CONTAINING MOLECULES
Authors: V.G.Litovchenko, A.A.Efremov Institute of Semiconductor Physics of the National Academy of Sciences of Ukraine, 45 Nauki Str., 252028 Kyiv, Ukraine

Some general conceptions and mechanisms of dissociative adsorption and catalysis are analyzed. The role of such factors as electronic shell configurations of isolated atoms, crystalline structure of the surface, local structural irregularities and defects, orientation of the surface bonds, dimensional effects, the presence of foreign atoms in the local atomic environment as well as the local symmetry of adsorption center are discussed. These considerations were used in developing the program for computer simulation of the process. The catalytic properties of PdCu$_{{\rm x}}$ surface alloys are analyzed using computer modelling and thus the enhancement of dissociative adsorption of H$_{{\rm 2}}$ for such a system is predicted. The experimental data, demonstrating the enhancement of sensitivity of MIS sensor with CuPd electrode in comparison with the pure Pd electrode, are presented.

Comments: Figs. 2, Refs. 3, Tabs. 1.

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