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

Miao Zhou, Aihua Zhang, Zhenxiang Dai, Chun Zhang, Yuan Ping Feng

doi:10.1063/1.3427246

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

DOI PDF 被引用文献4件

Miao Zhou

National University of Singapore 1 Department of Physics, , 2 Science Drive 3, Singapore 117542
Aihua Zhang

National University of Singapore 1 Department of Physics, , 2 Science Drive 3, Singapore 117542
Zhenxiang Dai

National University of Singapore 1 Department of Physics, , 2 Science Drive 3, Singapore 117542
Chun Zhang

National University of Singapore 1 Department of Physics, , 2 Science Drive 3, Singapore 117542
Yuan Ping Feng

National University of Singapore 1 Department of Physics, , 2 Science Drive 3, Singapore 117542

書誌事項

公開日: 2010-05-19

DOI

10.1063/1.3427246

公開者: AIP Publishing

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説明

<jats:p>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).</jats:p>