Thermodynamic properties of pure and doped (B, N) graphene
Thermodynamic properties of pure and doped (B, N) graphene
Ab-initio density functional perturbation theory (DFPT) has been employed to study thermodynamical properties of pure and doped graphene sheet and the results have been compared with available theoretical and experimental data. The concentration of B and N has been varied upto 50% of the carbon atoms in graphene. Phonon frequencies …