The Gibbs energies of monomeric and polymeric fullerene C60 phases at pressures up to 2.0 GPa and temperatures up to 800 K

摘要

The Gibbs energies of monomeric and polymeric orthorhombic, tetragonal, and rhombohedral fullerene C60 phases were calculated. The results were used to determine the relative stabilities of the phases and construct the phase diagram of C60 over the pressure and temperature ranges of up to 2.0 GPa and 800 K, respectively. The data obtained are compared with experimental data and calculation results reported by other authors.