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Graphyne-4 sheet exhibits promising potential for nanoscale desalination toachieve both high water permeability and salt rejection rate. Extensivemolecular dynamics simulations on pore-size effects suggest that graphyne-4,with 4 acetylene bonds between two adjacent phenyl rings, has the bestperformance with 100% salt rejection and an unprecedented water permeability,to our knowledge, of ~13L/cm2/day/MPa, about 10 times higher than thestate-of-the-art nanoporous graphene reported previously (Nano Lett.s 2012, 12,3602-3608). In addition, the membrane entails very low energy consumption forproducing 1m3 of fresh water, i.e., 3.6e-3 kWh/m3, three orders of magnitudeless than the prevailing commercial membranes based on reverse osmosis. Waterflow rate across the graphyne-4 sheet exhibits intriguing nonlinear dependenceon the pore size owing to the quantized nature of water flow at the nanoscale.Such novel transport behavior has important implications to the design ofhighly effective and efficient desalination membranes.

Ideal Desalination through Graphyne-4 Membrane: Nanopores for Quantized Water Transport