Greatly enhanced adsorption and catalytic activity of Au and Pt clusters on defective graphene.

@article{Zhou2010GreatlyEA,
  title={Greatly enhanced adsorption and catalytic activity of Au and Pt clusters on defective graphene.},
  author={Miao Zhou and Aihua Zhang and Zhenxiang Dai and Chun Qi Zhang and Yuan Ping Feng},
  journal={The Journal of chemical physics},
  year={2010},
  volume={132 19},
  pages={194704}
}
We report an investigation on CO oxidation catalyzed by Au(8) or Pt(4) clusters on defective graphene using first-principles approach based on density functional theory. The simplest single-carbon-vacancy defect on graphene was found to play an essential role in the catalyzed chemical reaction of CO oxidation. When supported on a defect-free graphene sheet, the reaction barrier of CO oxidation catalyzed by Au(8) (Pt(4)) clusters was estimated to be around 3.0 eV (0.5 eV), and when adsorbed on… CONTINUE READING