Issue 19, 2020

Interactions of ions across carbon nanotubes

Abstract

The interactions between a pair of Li+ ions across a semiconducting (8,0)CNT and a conducting (5,5)CNT has been investigated by density functional theory. The direct Coulomb interaction between the ions is almost completely screened. The band structure of the CNTs is not affected by the Li+ ions, but the Fermi level is raised to accommodate the extra electrons. Because of the unique band structure of CNTs this results in an effective attraction between the ions, which is greater for the (8,0)CNT. In contrast, a Cl ion inside a CNT forms a chemical bond which modifies the band structure. Again, the electrostatic field of the ion is almost completely screened outside of the tube. Nevertheless, the adsorption of a Li+ ion outside is favored by a Cl ion inside. This apparent attraction is mainly caused by a lowering of the work function of the CNT by the presence of the Cl.

Graphical abstract: Interactions of ions across carbon nanotubes

Article information

Article type
Paper
Submitted
12 avg 2019
Accepted
06 sep 2019
First published
07 sep 2019

Phys. Chem. Chem. Phys., 2020,22, 10603-10608

Interactions of ions across carbon nanotubes

F. Juarez, F. Dominguez-Flores, P. Quaino, E. Santos and W. Schmickler, Phys. Chem. Chem. Phys., 2020, 22, 10603 DOI: 10.1039/C9CP04463A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements