Density-functional theory study of the initial oxygen incorporation in Pd ( 111 )

@inproceedings{Todorova2005DensityfunctionalTS,
  title={Density-functional theory study of the initial oxygen incorporation in Pd ( 111 )},
  author={Mira Todorova and Karsten Reuter and Matthias Scheffler},
  year={2005}
}
Pds111d has recently been shown to exhibit a propensity to form a subnanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of this finding, we study the initial oxygen incorporation into the Pd s111d surface using density-functional theory. We… CONTINUE READING