Fig. 2. Band structures of three F terminated MXenes Sc3C2F2 (a), Sc3N2F2 (b) and Sc3(CN)F2 (c), and the vacuum energy is set as zero. Red solid and black dotted lines represent electronic energy bands from GGA-PBE and HSE06 respectively. The side view of the Sc3C2F2, Sc3N2F2 and Sc3(CN)F2 MXenes are shown below each band structure figure respectively.
