Fig. 3: Water molecule transport in voltage-gated Zr₄-Ti₃C₂T_x nanochannel membranes.

a Variation in water permeance under different applied voltages. The blue and yellow backgrounds represent negative and positive voltages (vs Ag/AgCl), respectively. b Influence of membrane thickness on voltage-gated water molecule transport behavior. c Effect of osmotic pressure on voltage-gated water transport behavior. d The water in Ti₃C₂T_x nanochannel. The green lines are hydrogen bonds between O atoms on the surface and water. The definition of hydrogen bond can be found in Methods. Here, the result is the snapshot at −V. e The number of Ti₃C₂T_x-water HBs during AIMD simulation. f The MSD curves. The diffusion coefficients of water are in proportion to the slope. g The Free energy profile of water projected onto the Ti₃C₂T_x surface. Here, the red, gray and airy blue dots mean the T, C and Ti sites on Ti₃C₂T_x. The red, gray and blue areas are the position of O, C and Ti sites. h The 1D free energy surface along the path (white dash line) indicated in first figure of (e). Error bars indicated the standard deviations from three different samples.