Temperature and pressure induced Raman studies of C60 oxide

Abstract

We present temperature, laser power, and pressure dependent Raman spectral analysis of C60 oxide (C60O) thin films prepared by the photolysis method. The first order temperature, laser power, and pressure coefficients of the Raman frequencies are evaluated and are utilized for evaluating the thermal conductivity of C60O. Its thermal conductivity is found to be 0.7 W m−1 K−1 which is marginally higher than that of bulk C60. Raman frequencies corresponding to C–O and C–C bonds blueshift with a decrease in temperature which is attributed to the thermal contraction of C60O molecules. The density functional measurements have been performed to optimize C60O structure. The contraction in the C–O bond length has been corroborated with the experimental Raman shifts at different temperatures and is used to evaluate the linear expansion coefficient of C60O. Pressure induced compression and polymerization of C60O clusters are also illustrated. This study highlights the interplay between thermal and mechanical transformations in the C60O cluster which may regulate its thermoelectric properties by tuning the intermolecular interactions.