Carbon nanotubes doped with nitrogen, pyridine-like nitrogen defects, and transition metal atoms

• 主要作者: Mananghaya, Michael R.
• 格式: text
• 出版: Animo Repository 2012
• 主題: Physics
• 在線閱讀: https://animorepository.dlsu.edu.ph/faculty_research/12275

Dopants and defects can be introduced as well as the intercalation of metals into single wall carbon nanotubes (SWCNTs) to modify their electronic and magnetic properties, thus significantly widening their application areas. Through spinpolarized density functional theory (DFT) calculations, we have...