Localised Vibrational Mode in CuO:Sn (5 at%) Nanoparticles

Abstract

An experimental and theoretical investigation of defect modes in tin-doped cupric oxide (Sn-doped CuO) nanoparticles synthesized via a one-step solid-state reaction was reported. The defect mode at 455 cm-1due to Sn doping in CuO nanoparticles, calculated using a molecular model, was compared with the experimental value of 458 cm-1obtained from the FTIR vibrational spectrum. The Debye-Waller factor (DWF) of CuO nanoparticles was determined using Rietveld refinement of the XRD pattern and the Wilson’s plot, and the results were discussed on the basis of the number of surface atoms and thermal vibrations. The effect of defect modes upon the DWF of Sn-doped CuO nanoparticles was also discussed.