Cohen-Tanugi D.Lin L.-C.Grossman J.C.LI-CHIANG LIN2022-05-242022-05-242016https://www.scopus.com/inward/record.uri?eid=2-s2.0-84958149578&doi=10.1021%2facs.nanolett.5b04089&partnerID=40&md5=ba70bd4b6f73f50a3765a9373ded3dcbhttps://scholars.lib.ntu.edu.tw/handle/123456789/611502While single-layer nanoporous graphene (NPG) has shown promise as a reverse osmosis (RO) desalination membrane, multilayer graphene membranes can be synthesized more economically than the single-layer material. In this work, we build upon the knowledge gained to date toward single-layer graphene to explore how multilayer NPG might serve as a RO membrane in water desalination using classical molecular dynamic simulations. We show that, while multilayer NPG exhibits similarly promising desalination properties to single-layer membranes, their separation performance can be designed by manipulating various configurational variables in the multilayer case. This work establishes an atomic-level understanding of the effects of additional NPG layers, layer separation, and pore alignment on desalination performance, providing useful guidelines for the design of multilayer NPG membranes. ? 2016 American Chemical Society.DesalinationGrapheneMembranesMolecular dynamicsMultilayersReverse osmosisUltrathin filmsWater filtrationAtomic levelsClassical molecular dynamicsLayer separationMultilayer grapheneNano-porousReverse osmosis desalinationSeparation performanceWater desalinationOsmosis membranes[SDGs]SDG6journal article10.1021/acs.nanolett.5b040892-s2.0-84958149578