INVESTIGADORES
QUAINO Paola Monica
artículos
Título:
Interactions of anions and cations in carbon nanotubes
Autor/es:
LEILA MOHAMMADZADEH; P. M QUAINO; WOLFGANG SCHMICKLER
Revista:
FARADAY DISCUSSIONS
Editorial:
ROYAL SOC CHEMISTRY
Referencias:
Lugar: CAMBRIDGE; Año: 2016 vol. 193 p. 415 - 426
ISSN:
1364-5498
Resumen:
AbstractWe consider the insertion of alkali-halide ion pairs into a narrow (5,5) car-bon nanotube. In all cases considered, the insertion of a dimer is only slightlyexothermic. While the image charge induced on the surface of the tube fa-vors insertion, it simultaneously weakens the Coulomb attraction betweenthe two ions. In addition, the anion experiences a sizable Pauli repulsion.For a one dimensional chain of NaCl embedded in the tube the most favor-able 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 opticalbranch.
