CO oxidation catalyzed by silver nanoclusters: mechanism and effects of charge.

@article{Tang2012COOC,
  title={CO oxidation catalyzed by silver nanoclusters: mechanism and effects of charge.},
  author={Dianyong Tang and Zhong Chen and Jianping Hu and Guofeng Sun and Shen-Zhuang Lu and Changwei Hu},
  journal={Physical chemistry chemical physics : PCCP},
  year={2012},
  volume={14 37},
  pages={
          12829-37
        }
}
The mechanism of the CO oxidation promoted by a neutral Ag(55) cluster was investigated extensively, using density functional theory calculations. The CO oxidation process catalyzed by anionic and cationic Ag(55) clusters was also studied, to clarify the effects of the charge state. The Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms were discussed in detail. Six reaction pathways were found for the Ag(55)-mediated CO oxidation. It was found that the ER mechanism competed with the LH… 
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