Structural importance of Stone–Thrower–Wales defects in rolled and flat graphenes from surface-enhanced Raman scattering

Abstract

We first survey the historical aspects of the term Stone–Thrower–Wales (STW) defect and its experimental identification. Physicochemical properties associated with the STW defect have been extensively investigated theoretically as well. However, it is difficult to verify the predicted properties by means of experiments. Here we demonstrate an experimental way to probe the vibrational properties of STW defects in single-wall carbon nanotubes (SWCNTs) using surface-enhanced Raman scattering (SERS). We also performed density functional theory calculations to support our interpretation of the SERS spectra. The characteristic fluctuations of peak intensities and frequencies are ascribed to dynamic motion of an STW defect in the hexagonal SWCNT lattice. The role of an STW defect at edges is also discussed in terms of its relevance to the stability and O2 reactivity of flat and curved graphene structures.