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Theoretical study of adsorption of C1-C3 alkoxides on various cap-ended and open-ended armchair (5,5) single-walled carbon nanotubes

dc.contributor.authorRaina Wanbayoren_US
dc.contributor.authorVithaya Ruangpornvisutien_US
dc.contributor.otherMahidol Universityen_US
dc.date.accessioned2018-07-12T02:23:42Z
dc.date.available2018-07-12T02:23:42Z
dc.date.issued2008-01-01en_US
dc.description.abstractAdsorption of methoxide, ethoxide and n-propoxide ions on perfect and Stone-Wales defect armchair (5,5) single-walled carbon nanotubes (SWCNTs) of cap-ended C80, C120, open-ended C80H20and C120H20were investigated using two different models. The energetics and thermodynamic properties of adsorption reactions on these SWCNTs were obtained. In the relative alkoxides adsorption on either perfect or Stone-Wales defect of either cap-ended or open-ended (5,5) SWCNTs and their protonated forms are in order: methoxide > ethoxide > n-propoxide. The open-ended SWCNT system, stabilities of alkoxides adsorbed on perfect tubes are more stable than on Stone-Wales defect tubes. © 2007 Elsevier Ltd. All rights reserved.en_US
dc.identifier.citationCarbon. Vol.46, No.1 (2008), 12-18en_US
dc.identifier.doi10.1016/j.carbon.2007.10.018en_US
dc.identifier.issn00086223en_US
dc.identifier.other2-s2.0-38649125225en_US
dc.identifier.urihttps://repository.li.mahidol.ac.th/handle/123456789/19098
dc.rightsMahidol Universityen_US
dc.rights.holderSCOPUSen_US
dc.source.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=38649125225&origin=inwarden_US
dc.subjectChemistryen_US
dc.titleTheoretical study of adsorption of C1-C3 alkoxides on various cap-ended and open-ended armchair (5,5) single-walled carbon nanotubesen_US
dc.typeArticleen_US
dspace.entity.typePublication
mu.datasource.scopushttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=38649125225&origin=inwarden_US

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