Position Sensitivity Study in Molecular Dynamics Simulations of Self-Organized Development of 3D Nanostructures

Abstract:

The sensitivity of defect free fusion of straight carbon nanotubes from graphene nanoribbons to the position of the nanoribbon edge positions has been investigated. A basic difference between the behavior of armchair and zigzag type nanoribbons was observed. When placing armchair type graphene nanoribbons above each other identical, fitting positions are obtained automatically. Zigzag type graphene nanoribbons, however, must not be placed above each other in identical positions. From the viewpoint of defect-free fusion, according to the MD simulations symmetric on nearly symmetric positions of the ribbon edges are favorable.

• Periodical: Materials Science Forum (Volume 885)
• Pages: 216-221
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.885.216
• Online since: February 2017
• Authors: Dávid Fülep*, I. Zsoldos, István László
• Keywords: Carbon Nanotube, Graphene Nanoribbon, Molecular Dynamics

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