• 文献标题:   Origin of Anomalous Water Permeation through Graphene Oxide Membrane
  • 文献类型:   Article
  • 作  者:   BOUKHVALOV DW, KATSNELSON MI, SON YW
  • 作者关键词:   graphene, nanoscale ice formation, density functional theory, water permeation
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Korea Inst Adv Study
  • 被引频次:   147
  • DOI:   10.1021/nl4020292
  • 出版年:   2013

▎ 摘  要

Water inside the low-dimensional carbon structures has been considered seriously owing to fundamental interest in its flow and structures as well as its practical impact. Recently, the anomalous perfect penetration of water through graphene oxide membrane was demonstrated although the membrane was impenetrable for other liquids and even gases. The unusual auxetic behavior of graphene oxide in the presence of water was also reported. Here, on the basis of first-principles calculations, we establish atomistic models for hybrid systems composed of water and graphene oxides revealing the anomalous water behavior inside the stacked graphene oxides. We show that formation of hexagonal ice bilayer in between the flakes as well as melting transition of ice at the edges of flakes are crucial to realize the perfect water permeation stacked structures. The distance between adjacent layers that can be controlled either by oxygen reduction process or pressure is shown to determine the water flow thus highlighting a unique water dynamics in randomly connected two-dimensional spaces.