Energetics and electronic structures of carbon nanotubes with adatom–vacancy defects

スポンサーリンク

概要

• 論文の詳細を見る

• We report first-principle total-energy electronic-structure calculations in the density functional theory performed for carbon nanotubes with a defect consisting of a pair of an adatom and a vacancy. We find that the activation barriers for formation and healing of the defect are not, vert, similar10 and 2 eV, respectively, indicating the possibility of defect healing under moderate conditions. The defect is found to induce two gap states with characteristics that strongly depend on its arrangement. Further, the metal–insulator transition takes place on the (9, 0) nanotube owing to the formation of gap states.

• Elsevier B.V.の論文

著者

• Okada Susumu

  Jst‐crest Saitama Jpn

関連論文

• Formation of graphene nanostructures on diamond nanowire surfaces
• Atomic configurations and energetics of vacancies in hexagonal boron nitride: First-principles total-energy calculations
• Energetics and electronic structure of semiconducting nanotubes adsorbed on SiO2 surfaces
• Electronic properties of a carbon nanotube in a field-effect transistor structure: A first-principles study
• Topologically induced surface electron state on Si(111) surfaces
• Energetics and electronic structures of carbon nanotubes with adatom–vacancy defects
• Quantum effects in a double-walled carbon nanotube capacitor
• Electronic Structure of Semiconducting Nanotubes Adsorbed on Metal Surfaces
• Energetics and electronic structures of potassium-intercalated C60 peapods

スポンサーリンク