Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.70.245425
Title: Ab initio study of OH-functionalized single-wall carbon nanotubes
Authors: Pan, H. 
Feng, Y.P. 
Lin, J.Y. 
Issue Date: Dec-2004
Source: Pan, 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
Abstract: The 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.
Source Title: Physical Review B - Condensed Matter and Materials Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/95710
ISSN: 10980121
DOI: 10.1103/PhysRevB.70.245425
Appears in Collections:Staff Publications

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