fig1

Figure 1. Structure, electronic, and capacitive properties of surface-terminated Mo₂CT_x (T = F, Cl, Br, I) MXene. (A) Structure model of Mo₂CT_x. The yellow area represents surface terminations, and the blue area represents the solvation region; (B) The formation energy of Mo₂CT_x; (C-F) The density of states of Mo₂CT_x; (G) Integral specific capacitance of Mo₂CT_x. The salmon, red, light-blue, and dark-blue stars represent Mo₂CF_x, Mo₂CCl_x, Mo₂CBr_x, and Mo₂CI_x, respectively; (H) C_Q of Mo₂CT_x. C_Q: Quantum capacitance; DOS: density of states.