Stability and electronic properties of carbon nanotubes doped with transition metal impurities

Bibliographic Details
Main Author: Azevedo, S.
Publication Date: 2010
Other Authors: Feitosa, Carlos Chesman de Araújo, Kaschny, J.R.
Format: Article
Language: eng
Source: Repositório Institucional da UFRN
Download full: https://repositorio.ufrn.br/jspui/handle/123456789/29094
Summary: We apply first-principles method to investigate the effect of the diameter on the stability and electronic properties of zigzag carbon nanotubes doped with iron, nickel and manganese impurity atoms. In this contribution we follow the evolution of the electronic and structural properties as a function of the nanotube diameter. As a general result, we found that the binding energy decreases with the increasing nanotube radius. Additionally, depending on the interaction of transition metal impurity with the tubular carbon structure, it is observed that the total magnetization varies with the tube diameter due to hy- bridization and confinement effects. It is also shown that such magnetization varies with the curvature radius, increasing for manganese impurity atoms and decreasing for iron and nickel
id UFRN_cbcba4efc89b5d6e476973b5414a2952
oai_identifier_str oai:https://repositorio.ufrn.br:123456789/29094
network_acronym_str UFRN
network_name_str Repositório Institucional da UFRN
repository_id_str
spelling Azevedo, S.Azevedo, S.Feitosa, Carlos Chesman de AraújoKaschny, J.R.Kaschny, J.R.2020-05-29T01:15:50Z2020-05-29T01:15:50Z2010-02-23AZEVEDO, S. ; CHESMAN, C. ; KASCHNY, J. R. Stability and electronic properties of carbon nanotubes doped with transition metals impurities. European Physical Journal B, v. 74, p. 123-128, 2010. Disponível em: https://link.springer.com/article/10.1140%2Fepjb%2Fe2010-00066-9. Acesso em: 18 mai. 2020. DOI: 10.1140/epjb/e2010-00066-9https://repositorio.ufrn.br/jspui/handle/123456789/2909410.1140/epjb/e2010-00066-9SPRINGERAttribution-NonCommercial 3.0 Brazilhttp://creativecommons.org/licenses/by-nc/3.0/br/info:eu-repo/semantics/openAccessZigzag carbon nanotubesStability and electronic properties of carbon nanotubes doped with transition metal impuritiesinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleWe apply first-principles method to investigate the effect of the diameter on the stability and electronic properties of zigzag carbon nanotubes doped with iron, nickel and manganese impurity atoms. In this contribution we follow the evolution of the electronic and structural properties as a function of the nanotube diameter. As a general result, we found that the binding energy decreases with the increasing nanotube radius. Additionally, depending on the interaction of transition metal impurity with the tubular carbon structure, it is observed that the total magnetization varies with the tube diameter due to hy- bridization and confinement effects. It is also shown that such magnetization varies with the curvature radius, increasing for manganese impurity atoms and decreasing for iron and nickelengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNCC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8920https://repositorio.ufrn.br/bitstream/123456789/29094/2/license_rdf728dfda2fa81b274c619d08d1dfc1a03MD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/29094/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53ORIGINALStabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdfStabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdfChesman_2010.pdfapplication/pdf384631https://repositorio.ufrn.br/bitstream/123456789/29094/1/StabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf4fbabf53bcf0eb0d80bfb001d212e52bMD51TEXTStabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.txtStabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.txtExtracted texttext/plain22407https://repositorio.ufrn.br/bitstream/123456789/29094/4/StabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.txt9217f532de166c71fed3bb806f37085eMD54THUMBNAILStabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.jpgStabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.jpgGenerated Thumbnailimage/jpeg1551https://repositorio.ufrn.br/bitstream/123456789/29094/5/StabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.jpgf96a8ccc534003ea1385a00f0550afabMD55123456789/290942020-06-18 17:27:29.547oai:https://repositorio.ufrn.br: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Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2020-06-18T20:27:29Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false
dc.title.pt_BR.fl_str_mv Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title Stability and electronic properties of carbon nanotubes doped with transition metal impurities
spellingShingle Stability and electronic properties of carbon nanotubes doped with transition metal impurities
Azevedo, S.
Zigzag carbon nanotubes
title_short Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_full Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_fullStr Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_full_unstemmed Stability and electronic properties of carbon nanotubes doped with transition metal impurities
title_sort Stability and electronic properties of carbon nanotubes doped with transition metal impurities
author Azevedo, S.
author_facet Azevedo, S.
Feitosa, Carlos Chesman de Araújo
Kaschny, J.R.
author_role author
author2 Feitosa, Carlos Chesman de Araújo
Kaschny, J.R.
author2_role author
author
dc.contributor.author.fl_str_mv Azevedo, S.
Azevedo, S.
Feitosa, Carlos Chesman de Araújo
Kaschny, J.R.
Kaschny, J.R.
dc.subject.por.fl_str_mv Zigzag carbon nanotubes
topic Zigzag carbon nanotubes
description We apply first-principles method to investigate the effect of the diameter on the stability and electronic properties of zigzag carbon nanotubes doped with iron, nickel and manganese impurity atoms. In this contribution we follow the evolution of the electronic and structural properties as a function of the nanotube diameter. As a general result, we found that the binding energy decreases with the increasing nanotube radius. Additionally, depending on the interaction of transition metal impurity with the tubular carbon structure, it is observed that the total magnetization varies with the tube diameter due to hy- bridization and confinement effects. It is also shown that such magnetization varies with the curvature radius, increasing for manganese impurity atoms and decreasing for iron and nickel
publishDate 2010
dc.date.issued.fl_str_mv 2010-02-23
dc.date.accessioned.fl_str_mv 2020-05-29T01:15:50Z
dc.date.available.fl_str_mv 2020-05-29T01:15:50Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv AZEVEDO, S. ; CHESMAN, C. ; KASCHNY, J. R. Stability and electronic properties of carbon nanotubes doped with transition metals impurities. European Physical Journal B, v. 74, p. 123-128, 2010. Disponível em: https://link.springer.com/article/10.1140%2Fepjb%2Fe2010-00066-9. Acesso em: 18 mai. 2020. DOI: 10.1140/epjb/e2010-00066-9
dc.identifier.uri.fl_str_mv https://repositorio.ufrn.br/jspui/handle/123456789/29094
dc.identifier.doi.none.fl_str_mv 10.1140/epjb/e2010-00066-9
identifier_str_mv AZEVEDO, S. ; CHESMAN, C. ; KASCHNY, J. R. Stability and electronic properties of carbon nanotubes doped with transition metals impurities. European Physical Journal B, v. 74, p. 123-128, 2010. Disponível em: https://link.springer.com/article/10.1140%2Fepjb%2Fe2010-00066-9. Acesso em: 18 mai. 2020. DOI: 10.1140/epjb/e2010-00066-9
10.1140/epjb/e2010-00066-9
url https://repositorio.ufrn.br/jspui/handle/123456789/29094
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv Attribution-NonCommercial 3.0 Brazil
http://creativecommons.org/licenses/by-nc/3.0/br/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution-NonCommercial 3.0 Brazil
http://creativecommons.org/licenses/by-nc/3.0/br/
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv SPRINGER
publisher.none.fl_str_mv SPRINGER
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFRN
instname:Universidade Federal do Rio Grande do Norte (UFRN)
instacron:UFRN
instname_str Universidade Federal do Rio Grande do Norte (UFRN)
instacron_str UFRN
institution UFRN
reponame_str Repositório Institucional da UFRN
collection Repositório Institucional da UFRN
bitstream.url.fl_str_mv https://repositorio.ufrn.br/bitstream/123456789/29094/2/license_rdf
https://repositorio.ufrn.br/bitstream/123456789/29094/3/license.txt
https://repositorio.ufrn.br/bitstream/123456789/29094/1/StabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf
https://repositorio.ufrn.br/bitstream/123456789/29094/4/StabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.txt
https://repositorio.ufrn.br/bitstream/123456789/29094/5/StabilityAndElectronicPropertiesOfCarbonNanotubesDoped_2010.pdf.jpg
bitstream.checksum.fl_str_mv 728dfda2fa81b274c619d08d1dfc1a03
e9597aa2854d128fd968be5edc8a28d9
4fbabf53bcf0eb0d80bfb001d212e52b
9217f532de166c71fed3bb806f37085e
f96a8ccc534003ea1385a00f0550afab
bitstream.checksumAlgorithm.fl_str_mv MD5
MD5
MD5
MD5
MD5
repository.name.fl_str_mv Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)
repository.mail.fl_str_mv
_version_ 1797777094220972032

Similar Items