Fig. 1. The top view (a) and side view (b) of the Sc3(CN)F2 MXene. (c) The Brillouin zone of the 2D hexagonal and orthorhombic lattice, the high symmetry routes Γ → K (Γ → X) and Γ → M (Γ → Y) correspond to the real-space x and y directions, respectively. (d) The band structure of the Sc3(CN)F2 MXene based on the orthorhombic cell with the Fermi level located at zero. The atoms are represented by spheres: Sc (green), C (black), N (blue) and F (orange).
