fig2

Figure 2. The structural and energetic variations of -F (blue), -O (red) and -OH (orange) terminated Ti₃C₂T_x/Nb₂CT_x. The top panel illustrates the atomic configurations during sliding along the AM and ZZ directions. The middle panel shows the interlayer spacing variation for different terminations and layer ratios. The lower panel shows the system energy variation per cell. ΔE is the energy relative to the ground state, and δ is the sliding period. Configurations with minimum interlayer spacings and energies along AM and ZZ are marked by circles. (A) and (B) correspond to sliding along AM and ZZ, respectively. Layer ratios 1:1, 1:3 and 3:1 are denoted by circles, squares and diamonds. The left and right y-axis share the same scale except for -OH terminated models (orange labels). ZZ: Zigzag; AM: armchair.