University of illinois Urbana-Champaign

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MD Simulation Analysis of Non-Planar Graphitic Structures

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Created 8/30/2001

This theoretical study confirms the belief that graphite, beyond the planar stage (upper), forms a variety of curved surfaces from arched edge planes (center) to nanotubes (bottom). Similarities between a sleeve formed at the edge of graphite and an armchair single-wall carbon nanotube can be clearly seen. (The background is a TEM image of a GPC edge). The simulation was perfomed in Cerius2, while the background TEM image is courtesy of Y. Gogotsi at Drexel University. The composite image was prepared in Maya and Photoshop.


  • Y. Gogotsi , Beckman Institute
  • Slava Rotkin , Beckman Institute
  • Janet Sinn-Hanlon , ITG, Beckman Institute
  • Ben Grosser , ITG, Beckman Institute
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