ADSORPTION OF ACETYLENE ON A PD-PB BIMETALLIC SURFACE - A THEORETICAL-STUDY

Authors
FERULLO RM TOUROUDE R CASTELLANI NJ
Citation
Rm. Ferullo et al., ADSORPTION OF ACETYLENE ON A PD-PB BIMETALLIC SURFACE - A THEORETICAL-STUDY, Surface review and letters, 4(4), 1997, pp. 621-628
Citations number
26
Journal title
Surface review and letters → ACNP
ISSN journal
0218625X
Volume
4
Issue
4
Year of publication
1997
Pages
621 - 628
Database
ISI
SICI code
0218-625X(1997)4:4<621:AOAOAP>2.0.ZU;2-T
Abstract
A semiempirical molecular orbital study of acetylene adsorption over P d(111) and Pd3Pb(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 acetylene pi and Pd orbitals when this metal interacts with Pb. Moreover this negative effect of Pb is of a strong local character.