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• W2023663124 abstract "Quantum chemical molecular dynamics simulations of graphene nucleation on the Ni(111) surface show that graphene creates its own step-edge as it forms. This “step-edge self-assembly” is driven by the formation of thermodynamically favorable Ni–C σ-bonds at the graphene edge. This dynamic aspect of the Ni(111) catalyst is in contrast to the commonly accepted view that graphene nucleates on a pre-existing, static catalyst step-edge. Simulations also show that, simply by manipulating the subsurface carbon density, preferential formation of single-layer graphene instead of multi-layer graphene can be achieved on nickel catalysts." @default.
• W2023663124 created "2016-06-24" @default.
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• W2023663124 date "2014-01-01" @default.
• W2023663124 modified "2023-10-14" @default.
• W2023663124 title "Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations" @default.
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• W2023663124 doi "https://doi.org/10.1039/c3nr04694j" @default.
• W2023663124 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24202187" @default.
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