First principle calculations of thermodynamic properties of pure graphene sheet and graphene sheets with Si, Ge, Fe, and Co impurities |
The relationship between bulk modulus and temperature of (a) pure graphene, (b) Si–graphene, (c) Ge–graphene, (d) Fe–graphene, and (e) Co–graphene sheets at 0 GPa, 3 GPa, 5 GPa, and 7 GPa. |