INVESTIGADORES
PRONSATO Maria Estela
artículos
Título:
Electronic Structure and Bonding of Small Pd Clusters on Stoichiometric and Reduced SnO2(110) Surfaces
Autor/es:
A. M. ROBINA; E. GERMÁN; M. E. PRONSATO; A. JUAN; V. MATOLÍN; I. MATOLINOVÁ
Revista:
VACUUM
Editorial:
PERGAMON-ELSEVIER SCIENCE LTD
Referencias:
Lugar: Amsterdam; Año: 2014 vol. 106 p. 86 - 93
ISSN:
0042-207X
Resumen:
In the present work, we have investigated the interaction of palladium adsorbed on SnO2 (110) surfaces, considering the possible formation of clusters on the surface using density functional theory (DFT) calculations. We report structure, adsorption and bonding properties of Pdn (n = 1 - 5) on the stoichiometric and reduced surfaces. Palladium can be adsorbed as clusters on both kind of surfaces but it is more easily decompose into monomers on the reduced surface. Pd interacts mainly with bridging O atoms on the stoichiometric surfaces while it bonds strongly with Sn on the reduced surface.
