Ionic interactions at carbon anotubes and apparent violations of Coulomb’s law

Erstveröffentlichung
2020-10-13Authors
Dominguez Flores, Fabiola
Referee
Schmickler, WolfgangSpohr, Eckhard
Dissertation
Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieAbstract
In the present thesis I have evaluated the behavior of ions inside and outside of carbon
nanotubes in depth by means of Density Functional Theory. DFT has been widely used to
study the binding energies of atoms and molecules on surfaces with fairly accurate results.
Based on the assumption that CNTs are excellent materials to be used as electrode material
inside batteries and capacitors, I wanted to study the modifications of the electronic structure
of the CNTs caused by the storage of ions, and how it depends on the nature of the CNT
and the type of ion with which it is interacting. I have used a semiconducting (8,0)CNT and
a metallic (5,5)CNT with similar diameters to study the interaction of different kinds of ions
inside and across these tubes and elucidate the differences presented by each kind of tube
with each kind of ion.
Date created
2020
Subject headings
[GND]: Ion | Kohlenstoff-Nanoröhre | Superkondensator[LCSH]: Ions | Carbon nanotubes | Supercapacitors
[DDC subject group]: DDC 540 / Chemistry & allied sciences
Metadata
Show full item recordDOI & citation
Please use this identifier to cite or link to this item: http://dx.doi.org/10.18725/OPARU-33336
Dominguez Flores, Fabiola (2020): Ionic interactions at carbon anotubes and apparent violations of Coulomb’s law. Open Access Repositorium der Universität Ulm und Technischen Hochschule Ulm. Dissertation. http://dx.doi.org/10.18725/OPARU-33336
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