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Article: Optical properties of single-walled 4 Å carbon nanotubes

TitleOptical properties of single-walled 4 Å carbon nanotubes
Authors
Issue Date2001
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html
Citation
Journal Of The American Chemical Society, 2001, v. 123 n. 40, p. 9830-9836 How to Cite?
AbstractOptical properties of a series of finite sized hydrogenated carbon nanotubes with the smallest diameter of 4 Å are studied systematically. Their absorption spectra are calculated with the localized-density-matrix method. The semiempirical MNDO parametric method 3 (PM3) Hamiltonian is employed. The finite optical gaps are predicted for the infinite long single-walled carbon nanotubes. Strong anisotropy characteristics of the dynamic polarizabilities are found for these tubes. The calculated results are in good agreement with the recent experimental findings, Further the compositions of the dipole-induced excitations are examined by projecting the corresponding density matrices onto the Hartree-Fock molecular orbital representation. Unlike the larger diameter carbon nanotubes whose absorption spectra are insensitive to the tube chiralities, the absorption spectra of 4 Å single-walled carbon nanotubes depend very much on their chiralities. The chirality of the single-wailed 4 Å carbon nanotubes synthesized in the channels of the porous zeolites is thus determined to be (5,0) by comparing the calculated and measured absorption spectra.
Persistent Identifierhttp://hdl.handle.net/10722/167703
ISSN
2015 Impact Factor: 13.038
2015 SCImago Journal Rankings: 7.123
References

 

DC FieldValueLanguage
dc.contributor.authorLiang, Wen_US
dc.contributor.authorYokojima, Sen_US
dc.contributor.authorNg, MFen_US
dc.contributor.authorChen, Gen_US
dc.contributor.authorHe, Gen_US
dc.date.accessioned2012-10-08T03:10:13Z-
dc.date.available2012-10-08T03:10:13Z-
dc.date.issued2001en_US
dc.identifier.citationJournal Of The American Chemical Society, 2001, v. 123 n. 40, p. 9830-9836en_US
dc.identifier.issn0002-7863en_US
dc.identifier.urihttp://hdl.handle.net/10722/167703-
dc.description.abstractOptical properties of a series of finite sized hydrogenated carbon nanotubes with the smallest diameter of 4 Å are studied systematically. Their absorption spectra are calculated with the localized-density-matrix method. The semiempirical MNDO parametric method 3 (PM3) Hamiltonian is employed. The finite optical gaps are predicted for the infinite long single-walled carbon nanotubes. Strong anisotropy characteristics of the dynamic polarizabilities are found for these tubes. The calculated results are in good agreement with the recent experimental findings, Further the compositions of the dipole-induced excitations are examined by projecting the corresponding density matrices onto the Hartree-Fock molecular orbital representation. Unlike the larger diameter carbon nanotubes whose absorption spectra are insensitive to the tube chiralities, the absorption spectra of 4 Å single-walled carbon nanotubes depend very much on their chiralities. The chirality of the single-wailed 4 Å carbon nanotubes synthesized in the channels of the porous zeolites is thus determined to be (5,0) by comparing the calculated and measured absorption spectra.en_US
dc.languageengen_US
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.htmlen_US
dc.relation.ispartofJournal of the American Chemical Societyen_US
dc.titleOptical properties of single-walled 4 Å carbon nanotubesen_US
dc.typeArticleen_US
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_US
dc.identifier.authorityChen, G=rp00671en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1021/ja0160445en_US
dc.identifier.pmid11583545-
dc.identifier.scopuseid_2-s2.0-0035840945en_US
dc.identifier.hkuros69049-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0035840945&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume123en_US
dc.identifier.issue40en_US
dc.identifier.spage9830en_US
dc.identifier.epage9836en_US
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridLiang, W=7402026799en_US
dc.identifier.scopusauthoridYokojima, S=6701511038en_US
dc.identifier.scopusauthoridNg, MF=37161861600en_US
dc.identifier.scopusauthoridChen, G=35253368600en_US
dc.identifier.scopusauthoridHe, G=55216122000en_US

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