title: Quantized water transport: ideal desalination through graphyne-4 membrane.
abstract: Graphyne sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that γ-graphyne-4, with 4 acetylene bonds between two adjacent phenyl rings, has the best performance with 100% salt rejection and an unprecedented water permeability, to our knowledge, of ~13 L/cm(2)/day/MPa, 3 orders of magnitude higher than prevailing commercial membranes based on reverse osmosis, and ~10 times higher than the state-of-the-art nanoporous graphene. Strikingly, water permeability across graphyne exhibits unexpected nonlinear dependence on the pore size. This counter-intuitive behavior is attributed to the quantized nature of water flow at the nanoscale, which has wide implications in controlling nanoscale water transport and designing highly effective membranes.
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
authors.forename: Chongqin
authors.initials: C
authors.lastname: Zhu
authors.forename: Hui
authors.initials: H
authors.lastname: Li
authors.forename: Xiao Cheng
authors.initials: XC
authors.lastname: Zeng
authors.forename: E G
authors.initials: EG
authors.lastname: Wang
authors.forename: Sheng
authors.initials: S
authors.lastname: Meng