Molecular dynamics of single wall carbon nanotube growth on nickel surface

Computational Materials Science

Volumn 36, Issue 1-2, 2006, Pages 117-120

  Esfarjani, Keivan ^a   Gorjizadeh, Narjes ^a   Nasrollahi, Zahra ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Environment dependent potential; Growth; Molecular dynamics; Nanotube

Indexed keywords

CHEMICAL VAPOR DEPOSITION; DIMERS; GROWTH (MATERIALS); MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; NICKEL;

ENVIRONMENT-DEPENDENT POTENTIAL; GROWTH; NANOTUBES;

CARBON NANOTUBES;

EID: 33645023927     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.02.022     Document Type: Conference Paper

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22. From the phase diagram of Ni-C at 700 °C, it can be inferred that there can be very little alloying and most of carbon atoms would tend to segregate and move out of the metal particle. It is therefore possible to have a small concentration of carbon atoms one layer under the surface. Their diffusion rate would be much slower than carbons moving on the surface. At higher temperatures, carbon species may diffuse under the surface and pop out at a later time. This would allow formation of multiwall tubes in agreement with experimental growth temperatures for MWCNT grown by CVD.