| Popis: |
After we thoroughly surveyed first-principles theoretical methods commonly employed in the studies of carbon nanotubes, we highlighted the performance of such ab inito methods on the electronic properties and reactivities of perfect, vacancy-defected, and hetroatom-doped single-walled carbon nanotubes. We have found that a rich chemistry can take place at the vacancy defect and doping sites of nanosystem: this very fact will enable experimental scientists to produce novel functionalized nanosize materials with much higher level of precise control of the manufacturing process |
