Tight Binding molecular dynamics simulations have been performed on single wall carbon nanotubes, in order to evaluate thermal stability and the effect of the most relevant defects (the single vacancy and a Stone-Wales -SW-defect). The nanotubes are stable up to the graphite instability temperature. Both the considered defects have a large formation energy (EF(vac) = 6.10 eV, EF(SW) = 5.55 eV).
|Publication status||Published - 2001|
|Event||Nanotubes and Related Materials - , United States|
Duration: 1 Jan 2001 → …
|Conference||Nanotubes and Related Materials|
|Period||1/1/01 → …|
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
Conversano, R., Cleri, F., D'Agostino, G., Rosato, V., & Volpe, M. (2001). Defect energetics, thermal stability and localized electronic states in carbon nanotubes. Paper presented at Nanotubes and Related Materials, United States.