Site-selective conductance of sidewall functionalized carbon nanotubes

Physical Review Letters 101, 236806 - 4 (2008)

Site-selective conductance of sidewall functionalized carbon nanotubes

J.M. García-Lastra, K.S. Thygesen, M. Strange, A. Rubio

We use DFT to study the effect of molecular adsorbates on the conductance of metallic carbon nanotubes. The five molecules considered (NO2, NH2, H, COOH, OH) lead to similar scattering of the electrons. The adsorption of a single molecule suppresses one of the two available channels of the CNT at low bias conductance. If more molecules are adsorbed on the same sublattice, the remaining open channel can be blocked or not, depending on the relative position of the adsorbates. If a simple geometric condition is fulfilled this channel is still open, even after adsorbing an arbitrary number of molecules.

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Doi
http://dx.doi.org/10.1103/PhysRevLett.101.236806
arxiv
http://arxiv.org/abs/0804.3613v1
Notes
Selected for the December 22, 2008 issue of Virtual Journal of Nanoscale Science & Technology.