Ion Selectivity, Current, and Water Flow Regulation in TiC MXene Nanopores.

Recent years have seen a growing interest in zero-dimensional (0D) transport phenomena occurring across two-dimensional (2D) materials for their potential applications to nanopore technology such as ion separation and molecular sensing. Herein, we investigate ion transport through 1 nm-wide nanopores in TiC MXene using molecular dynamics simulations. The high polarity and fish-bone arrangement of the TiC MXene offer a built-in potential and an atomic-scale distortion to the nanopore, causing an adsorption preference for cations.