title: Selective tuning of the electronic properties of coaxial nanocables through exohedral doping.
abstract: The electronic properties of exohedrally doped double-walled carbon nanotubes (DWNTs) have been investigated using density functional theory and resonance Raman spectroscopy (RRS) measurements. First-principles calculations elucidate the effects of exohedral doping on the M@S and S@M systems, where a metallic (M) tube is either inside or outside a semiconducting (S) one. The results demonstrate that metallic nanotubes are extremely sensitive to doping even when they are inner tubes, in sharp contrast to semiconducting nanotubes, which are not affected by doping when the outer shell is a metallic nanotube (screening effects). The theoretical predictions are in agreement with RRS data on Br2- and H2SO4-doped DWNTs. These results pave the way to novel nanoscale electronics via exohedral doping.
authors.affiliation: Departamento de Física, Universidade Federal do Ceara, P.O. Box 6030, 60455-900 Fortaleza-CE, Brazil. agsf@fisica.ufc.br
authors.forename: Antonio G Souza
authors.initials: AG
authors.lastname: Filho
authors.forename: Vincent
authors.initials: V
authors.lastname: Meunier
authors.forename: Mauricio
authors.initials: M
authors.lastname: Terrones
authors.forename: Bobby G
authors.initials: BG
authors.lastname: Sumpter
authors.forename: Eduardo B
authors.initials: EB
authors.lastname: Barros
authors.forename: Federico
authors.initials: F
authors.lastname: Villalpando-Páez
authors.forename: Josue Mendes
authors.initials: JM
authors.lastname: Filho
authors.forename: Yoong Ahm
authors.initials: YA
authors.lastname: Kim
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Muramatsu
authors.forename: Takuya
authors.initials: T
authors.lastname: Hayashi
authors.forename: Morinobu
authors.initials: M
authors.lastname: Endo
authors.forename: Mildred S
authors.initials: MS
authors.lastname: Dresselhaus
mesh_terms: D003198:Computer Simulation; D017076:Computer-Aided Design; D003460:Crystallization / Q000379:methods*; D017097:Electric Impedance; D004559:Electric Wiring / Q000295:instrumentation*; D004579:Electron Transport; D004867:Equipment Design; D019544:Equipment Failure Analysis; D046911:Macromolecular Substances / Q000737:chemistry; D008422:Materials Testing; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D036103:Nanotechnology / Q000295:instrumentation* / Q000379:methods; D043942:Nanotubes / Q000737:chemistry* / Q000648:ultrastructure; D010316:Particle Size; D013499:Surface Properties
chemical_list: D046911:Macromolecular Substances