CO adsorption on Cu-Pd alloy surfaces: ligand versus ensemble effects.

@article{Sakong2007COAO,
  title={CO adsorption on Cu-Pd alloy surfaces: ligand versus ensemble effects.},
  author={Sung Hwan Sakong and Christian Mosch and Axel Gross},
  journal={Physical chemistry chemical physics : PCCP},
  year={2007},
  volume={9 18},
  pages={2216-25}
}
The CO adsorption on ordered Cu-Pd alloy surfaces and surface alloys has been studied using density functional theory (DFT) within the framework of the generalized gradient approximation (GGA). On the surface alloys, the CO adsorption energy at the top sites decreases with increasing concentration of the more reactive metal Pd. This surprising ligand effect is caused by the effective compressive strain induced by the larger size of the Pd atoms. On the other hand, at the most favorable… CONTINUE READING