PMID: 19113580Dec 31, 2008Paper

Conductance of sidewall-functionalized carbon nanotubes: universal dependence on adsorption sites

Physical Review Letters
Juan María García-LastraAngel Rubio

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.

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Citations

Jul 14, 2011·Nature Communications·Shunliu DengYuHuang Wang
Feb 11, 2015·The Journal of Chemical Physics·T KetolainenM J Puska
Jul 30, 2014·Journal of the American Chemical Society·Kamal B Dhungana, Ranjit Pati
Sep 6, 2014·Physical Chemistry Chemical Physics : PCCP·Ivi Valentini LaraSolange Binotto Fagan
May 1, 2012·Physical Review Letters·G S DinizS E Ulloa
Aug 15, 2013·The Journal of Physical Chemistry. B·Christopher D Von BargenJeffery G Saven
Jun 25, 2019·Chemistry of Materials : a Publication of the American Chemical Society·Yunfeng LiYuHuang Wang

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