Volume 193, 2016

Interactions of anions and cations in carbon nanotubes

Abstract

We consider the insertion of alkali-halide ion pairs into a narrow (5,5) carbon nanotube. In all cases considered, the insertion of a dimer is only slightly exothermic. While the image charge induced on the surface of the tube favors insertion, it simultaneously weakens the Coulomb attraction between the two ions. In addition, the anion experiences a sizable Pauli repulsion. For a one dimensional chain of NaCl embedded in the tube the most favorable position for the anion is at the center, and for the cation near the wall. The phonon spectrum of such chains shows both an acoustic and an optical branch.

Associated articles

Article information

Article type
Paper
Submitted
12 Apr 2016
Accepted
19 Apr 2016
First published
19 Apr 2016

Faraday Discuss., 2016,193, 415-426

Interactions of anions and cations in carbon nanotubes

L. Mohammadzadeh, P. Quaino and W. Schmickler, Faraday Discuss., 2016, 193, 415 DOI: 10.1039/C6FD00076B

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