Conductance of Sidewall-Functionalized Carbon Nanotubes: Universal Dependence on Adsorption Sites

J.M. García-Lastra, Kristian Sommer Thygesen, Mikkel Strange, Á. Rubio

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Abstract

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.
Original languageEnglish
JournalPhysical Review Letters
Volume101
Issue number23
Pages (from-to)236806
ISSN0031-9007
DOIs
Publication statusPublished - 2008

Bibliographical note

Copyright 2008 American Physical Society

Keywords

  • CHANNEL
  • DEFECTS

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