Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon-metal potential

Nanoscale, 2016, Advance Article
DOI: 10.1039/C5NR06016H, Paper

Ziwei Xu, Tianying Yan, Guiwu Liu, Guanjun Qiao, Feng Ding
A molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential and atomistic details.
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