• Corpus ID: 118030859

Doping of zigzag carbon nanotubes through the encapsulation of small fullerenes

  title={Doping of zigzag carbon nanotubes through the encapsulation of small fullerenes},
  author={K S Troche and Vitor Rafael Coluci and Riccardo Rurali and Douglas Soares Galv{\~a}o},
  journal={arXiv: Mesoscale and Nanoscale Physics},
In this work we investigated the encapsulation of C$_20$ and C$_30$ fullerenes into semiconducting carbon nanotubes to study the possibility of bandgap engineering in such systems. Classical molecular dynamics simulations coupled to tight-binding calculations were used to determine the conformational and electronic properties of carbon nanotube supercells containing up to 12 fullerenes. We have observed that C$_20$ fullerenes behave similarly to a p-type dopant while C$_30$ ones work as n-type… 
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