Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.3427246
Title: Greatly enhanced adsorption and catalytic activity of Au and Pt clusters on defective graphene
Authors: Zhou, M.
Zhang, A. 
Dai, Z. 
Zhang, C. 
Feng, Y.P. 
Issue Date: 21-May-2010
Citation: Zhou, M., Zhang, A., Dai, Z., Zhang, C., Feng, Y.P. (2010-05-21). Greatly enhanced adsorption and catalytic activity of Au and Pt clusters on defective graphene. Journal of Chemical Physics 132 (19) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3427246
Abstract: We report an investigation on CO oxidation catalyzed by Au8 or Pt4 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 Au8 (Pt4) clusters was estimated to be around 3.0 eV (0.5 eV), and when adsorbed on defective graphene, the reaction barrier was greatly reduced to around 0.2 eV (0.13 eV). © 2010 American Institute of Physics.
Source Title: Journal of Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/96746
ISSN: 00219606
DOI: 10.1063/1.3427246
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