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dc.contributor.author
Mohammadzadeh, Leila  
dc.contributor.author
Quaino, Paola Monica  
dc.contributor.author
Schmickler, Wolfgang  
dc.date.available
2020-08-07T13:52:00Z  
dc.date.issued
2016-04  
dc.identifier.citation
Mohammadzadeh, Leila; Quaino, Paola Monica; Schmickler, Wolfgang; Interactions of anions and cations in carbon nanotubes; Royal Society of Chemistry; Faraday Discussions; 193; 4-2016; 415-426  
dc.identifier.issn
1364-5498  
dc.identifier.uri
http://hdl.handle.net/11336/111113  
dc.description.abstract
We 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 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 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 optical branch.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Royal Society of Chemistry  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
CARBON NANOTUBES  
dc.subject
ANIONS  
dc.subject
CATIONS  
dc.subject
CHARGE STORAGE  
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Interactions of anions and cations in carbon nanotubes  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2020-08-05T16:39:01Z  
dc.journal.volume
193  
dc.journal.pagination
415-426  
dc.journal.pais
Reino Unido  
dc.journal.ciudad
Cambridge  
dc.description.fil
Fil: Mohammadzadeh, Leila. Universitat Ulm. Faculty Of Natural Sciences; Alemania. Universidad Nacional del Litoral; Argentina  
dc.description.fil
Fil: Quaino, Paola Monica. Universidad Nacional del Litoral; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.description.fil
Fil: Schmickler, Wolfgang. Universitat Ulm. Faculty Of Natural Sciences; Alemania  
dc.journal.title
Faraday Discussions  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C6FD00076B