IFISUR   23398
INSTITUTO DE FISICA DEL SUR
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Electronic Structure and Bonding of small Pd Clusters on SnO2(110) Surfaces
Autor/es:
A. M. ROBINA; M. E. PRONSATO; I. MATOLINOVÁ; V. MATOLÍN
Lugar:
Montevideo
Reunión:
Workshop; V Workshop on Novel Methods for Electronic Structure Calculations; 2013
Resumen:
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 stoichometric and reduced surfaces. Palladium can be adsorbed as clusters on both types of surfaces but can decompose into monomers more easily on the reduced surface. Pd interacts mainly with bridging O atoms on the stoichometric surfaces while it bonds strongly with Sn on the reduced surface.