Please use this identifier to cite or link to this item:
Title: Greatly enhancing catalytic activity of graphene by doping the underlying metal substrate
Authors: Guo N. 
Xi Y.
Liu S.
Zhang C. 
Issue Date: 2015
Citation: Guo N., Xi Y., Liu S., Zhang C. (2015). Greatly enhancing catalytic activity of graphene by doping the underlying metal substrate. Scientific Reports 5 : 12058. ScholarBank@NUS Repository.
Abstract: Graphene-based solid-state catalysis represents a new direction in applications of graphene and has attracted a lot of interests recently. However, the difficulty in fine control and large-scale production of previously proposed graphene catalysts greatly limits their industrial applications. Here we present a novel way to enhance the catalytic activity of graphene, which is highly efficient yet easy to fabricate and control. By first-principles calculations, we show that when the underlying metal substrate is doped with impurities, the catalytic activity of the supported graphene can be drastically enhanced. Graphene supported on a Fe/Ni(111) surface is chosen as a model catalyst, and the chemical reaction of CO oxidation is used to probe the catalytic activity of graphene. When the underlying Fe/Ni(111) substrate is impurity free, the graphene is catalytically inactive. When a Zn atom is doped into the substrate, the catalytic activity of the supported graphene is greatly enhanced, and the reaction barrier of the catalyzed CO oxidation is reduced to less than 0.5 eV. Intriguing reaction mechanism of catalyzed CO oxidation is revealed. These studies suggest a new class of graphene-based catalysts and pave the way for future applications of graphene in solid-state catalysis.
Source Title: Scientific Reports
ISSN: 2045-2322
DOI: 10.1038/srep12058
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
File Description SizeFormatAccess SettingsVersion 
10_1038_srep12058.pdf5.26 MBAdobe PDF



Google ScholarTM



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.