Abstract
We calculated the nonresonant Raman spectra of C60 peapods to determine the concentration of C60 fullerenes inside single-walled carbon nanotubes. We focus on peapods with large diameters for which C60 molecules can adopt a double helix configuration or a two-molecule layer configuration. Our calculations are performed within the framework of the bond-polarizability model combined with the spectral moment’s method. The changes in the Raman spectra as a function of C60 filling rate and the configuration of C60 molecules inside the nanotubes are identified and discussed. Our calculations support the experimental method proposed by Kuzmany to evaluate the concentration of C60 molecules inside nanotubes.