In terms of lattice dynamics theory, we study the vibrational properties of the oxygen-functionalized single wall carbon nanotubes (O-SWCNs). Due to the C-O and O-O interactions, many degenerate phonon modes are split and even some new phonon modes are obtained, different from the bare SWCNs. A distinct Raman shift is found in both the radial breathing mode and G modes, depending not only on the tube diameter and chirality but also on oxygen coverage and adsorption configurations. With the oxygen coverage increasing, interesting, a nonmonotonic up- and down-shift is observed in G modes, which is contributed to the competition between the bond expansion and contraction, there coexisting in the functionalized carbon nanotube.
@article{arxiv.cond-mat/0701359,
title = {Raman frequency shift in oxygen functionalized carbon nanotubes},
author = {Z. X. Guo and J. W. Ding and Y. Xiao and D. Y. Xing},
journal= {arXiv preprint arXiv:cond-mat/0701359},
year = {2009}
}