Molecular transport across a two-dimensional nanomesh membrane–graphdiyne

Abstract The purification and separation technologies are of great importance to industry and agriculture in modern society. Two-dimensional (2D) crystals emerge as superior membrane materials showing desirable molecular permeability and selectivity. Among them, 2D materials with a nanomesh structure show the greatest potential in molecular transport and separation. Here, we highlight the recent theoretical progresses in molecular transport across 2D graphdiyne membrane with the nanomesh structure. Firstly, the nonlinear and activated water flow were demonstrated through the graphdiyne membranes under external hydrostatic pressure. Then, the superior proton conductivity and perfect selectivity were shown for graphdiyne membrane at ambient conditions. Lastly, graphdiyne was shown to exhibit perfect small gas molecule permeability and selectivity at the atmospheric conditions. The mechanisms for molecular transport and selectivity are also discussed.