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  • Article
    Li HB, Page AJ, Wang Y, Irle S, Morokuma K.
    Chem Commun (Camb). 2012 Aug 18;48(64):7937-9.
    Graphene nucleation on Ni(111) has been modeled using QM/MD simulations. We demonstrate that graphene precursor nucleation can occur underneath the catalyst surface. In addition, a Ni(111) step-edge is not a static structure, as is often assumed; it is instead highly malleable, being deformed and subsequently healed during graphene nucleation.
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