Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.70.245425
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dc.titleAb initio study of OH-functionalized single-wall carbon nanotubes
dc.contributor.authorPan, H.
dc.contributor.authorFeng, Y.P.
dc.contributor.authorLin, J.Y.
dc.date.accessioned2014-10-16T09:14:55Z
dc.date.available2014-10-16T09:14:55Z
dc.date.issued2004-12
dc.identifier.citationPan, H., Feng, Y.P., Lin, J.Y. (2004-12). Ab initio study of OH-functionalized single-wall carbon nanotubes. Physical Review B - Condensed Matter and Materials Physics 70 (24) : 1-5. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.70.245425
dc.identifier.issn10980121
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/95710
dc.description.abstractThe effects of the OH group on the electronic and optical properties of single-wall carbon nanotubes were investigated using first principles electronic structure calculations. Our results confirm band-gap reduction of semiconductor carbon nanotubes up on addition of the OH group. An additional energy level emerges near the Fermi level, which is due to coupling between one p orbital of the oxygen with the big π bond of the nanotube. Analysis of loss function showed that the plasmon excitation shifts to lower frequency. © 2004 The American Physical Society.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1103/PhysRevB.70.245425
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentPHYSICS
dc.description.doi10.1103/PhysRevB.70.245425
dc.description.sourcetitlePhysical Review B - Condensed Matter and Materials Physics
dc.description.volume70
dc.description.issue24
dc.description.page1-5
dc.description.codenPRBMD
dc.identifier.isiut000226112300108
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