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Density-functional tight-binding molecular dynamics simulations of SWCNT growth by surface carbon diffusion on an iron cluster

Materials ScienceCluster ScienceMolecular KineticsEngineeringSurface Carbon DiffusionIron ClusterNanoscale ModelingPhysical ChemistryCluster ChemistryInterfacial StudyComputational ChemistryChemistrySwcnt GrowthMolecular Dynamics