Original paper
CH4 dissociation in the early stage of graphene growth on Fe–Cu(100) surface: Theoretical insights
Abstract
The mechanism of CH4 dissociation and carbon nucleation process on the Fe doped Cu(100) surface were investigated systematically by using the density functional theory (DFT) calculations and microkinetic model. The activity of the Cu(100) surface was improved by the doped Fe atom and the atomic Fe on the Fe-Cu(100) surface was the reaction center due to the synergistic effect. In the dissociation process of CH4, CH3 → CH2 + H was regarded as the...
Paper Details
Title
CH4 dissociation in the early stage of graphene growth on Fe–Cu(100) surface: Theoretical insights
Published Date
Jan 1, 2018
Journal
Volume
427
Pages
953 - 960
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Notes
History