Adsorption of atomic nitrogen and oxygen on [Formula: see text] surface: a density functional theory study.

@article{Breedon2009AdsorptionOA,
  title={Adsorption of atomic nitrogen and oxygen on [Formula: see text] surface: a density functional theory study.},
  author={Michael Breedon and Michelle J S Spencer and Irene Yarovsky},
  journal={Journal of physics. Condensed matter : an Institute of Physics journal},
  year={2009},
  volume={21 14},
  pages={144208}
}
The adsorption of atomic nitrogen and oxygen on the ([Formula: see text]) crystal face of zinc oxide (ZnO) was studied. Binding energies, workfunction changes, vibrational frequencies, charge density differences and electron localization functions were calculated. It was elucidated that atomic oxygen binds more strongly than nitrogen, with the most stable… CONTINUE READING