Ab Initio Molecular Dynamics of the Initial Growth of Few-Layer Graphene on a Cu–Ni(111) Catalyst
Erik Bhekti Yutomo,
Fatimah Arofiati Noor,
Toto Winata
et al.
Abstract:A Cu−Ni catalyst is commonly used to grow fewlayer graphene (FLG) with a controlled number of layers by using chemical vapor deposition. However, the mechanism of FLG growth on the Cu−Ni catalyst is still poorly understood. Here, the segregation of C adatoms in the Cu−Ni(111) catalyst is systematically explored using ab initio molecular dynamics. In the Cu−Ni(111) catalyst, the dynamics of C adatoms are controlled by the Ni atoms because Ni−C bonds have a higher stability than Cu−C bonds. By forming oriented c… Show more
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