The Interactions of Oxygen with Small Gold Clusters on Nitrogen-Doped Graphene

The Interactions of Oxygen with Small Gold Clusters on Nitrogen-Doped Graphene

By means of density functional theory, the adsorption properties of O2 molecule on both isolated and N-graphene supported gold clusters have been studied. The N-graphene is modeled by a C65NH22 cluster of finite size. The results indicate that the catalytic activity and the O2 adsorption energies of...

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Bibliographic Details
Main Authors: Xiayan Wang, Fan Li, Shaorui Sun, Xin Chen, Dingguo Xia
Format: Article
Language:English
Published: MDPI AG 2013-03-01
Series:Molecules
Subjects:
gold cluster
graphene
oxygen adsorption
density functional theory
Online Access:http://www.mdpi.com/1420-3049/18/3/3279

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