ADSORPTION OF ACETYLENE ON APd–PbBIMETALLIC SURFACE — A THEORETICAL STUDY

R. M. Ferullo, R. Touroude and N. J. Castellani ()
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R. M. Ferullo: Planta Piloto de Ingeniería Química (UNS-CONICET), 12 de Octubre 1842, 8000 Bahía Blanca, Argentina;
R. Touroude: Laboratoire d'Etudes de la Réactivité Catalytique, des Surfaces et Interfaces, 4 rue Blaise Pascal, 67070 Strasbourg, France
N. J. Castellani: Planta Piloto de Ingeniería Química (UNS-CONICET), 12 de Octubre 1842, 8000 Bahía Blanca, Argentina;

Surface Review and Letters (SRL), 1997, vol. 04, issue 04, 621-628

Abstract: A semiempirical molecular orbital study of acetylene adsorption over Pd(111) andPd3Pb(111)has been performed. A strong negative effect of Pb atoms on Pd chemisorptive strength was observed in the alloy. This behavior is related to a lower hybridization between acetyleneπ*and Pd orbitals when this mental interacts with Pb. Moreover this negative effect of Pb is of a strong local character.

Date: 1997
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DOI: 10.1142/S0218625X97000614

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