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Raman frequency shift in oxygen functionalized carbon nanotubes
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.Comment: 4 pages, 3 figures, 1 tabl
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