Probing the role of carbon solubility in transition metal catalyzing single-walled carbon nanotubes growth

摘要: Abstract Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess role solubility, we take advantage physical transparency a tight binding model established for Ni-C alloys, develop metal models where all properties, except are similar. These used analyze incorporation mechanisms, modifications metal/carbon wall interfacial properties induced thereby, associated nanotube mechanisms. Fine tuning solubility is shown be essential support sustainable growth, preventing termination by either nanoparticle encapsulation or detachment.