Conductance of sidewall-functionalized carbon nanotubes: universal dependence on adsorption sites.
We use density functional theory to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes (CNT). The five molecules considered (NO2, NH2, H, COOH, OH) lead to very similar scattering of the electrons. The adsorption of a single molecule suppresses one of the two available transport channels at the Fermi level while the other is left undisturbed. If more molecules are adsorbed on the same sublattice, the remaining open channel may or may not be blocked, depending on the relative position of the adsorbates. If the relative positions satisfy a simple geometric condition, this channel remains fully open independently of the number of adsorbed molecules.
García-Lastra
Juan María
JM
Nano-Bio Spectroscopy Group and European Theoretical Spectroscopy Facility (ETSF), Departamento de Fisica de Materiales, Unidad de Materiales Centro Mixto CSIC-UPV/EHU, Universidad del Pais Vasco, Avd. Tolosa 72, E-20018 Donostia, Spain.
Thygesen
Kristian S
KS
Strange
Mikkel
M
Rubio
Angel
A