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One of the most promising applications in nanoscience is the design of newmaterials to improve water permeability and selectivity of nanoporousmembranes. Understanding the molecular architecture behind these fascinatingstructures and how it impacts the water flow is an intricate but necessarytask. We studied here, the water flux through multi-layered nanoporousmolybdenum disulfide (MLNMoS$_2$) membranes with different nanopore sizes andlength. Molecular dynamics simulations show that the permeability do notincrease with the inverse of the membrane thickness, violating the classicalhydrodynamic behavior. The data also reveals that the water dynamics is slowerthan that observed in frictionless carbon nanotubes and multi-layer graphenemembranes, which we explain in terms of an anchor mechanism observed in betweenlayers. We show that the membrane permeability is critically dependent on thenanopore architecture, bringing important insights into the manufacture of newdesalination membranes.

Molecular Dynamics Simulations of Water Anchored in Multi-Layered Nanoporous MoS$_2$ Membranes: Implications for Desalination