Feature of the Endohedral Metallofullerene Y@C₈₂ and Gd@C₈₂ Polymerization under High Pressure

In the present work, the polymerization of endohedral metallofullerenes (EMFs) with gadolinium (Gd@C-82) and yttrium atoms (YgC(82)) at high pressures achieved using the shear diamond anvil cell technique is studied using both theoretical and experimental approaches. It is found that in contrast to pure fullerenes, EMF polymerization starts at lower pressures with similar behavior for both metals inside the fullerene cage. EMF polymerization occurs smoothly and finally leads to a significant increase in the number of interfullerene bonds at pressures higher than similar to 20 GPa. Finally, a high bulk modulus of both EMF-polymerized materials is obtained using Raman spectra.