Ion and water transport in charge-modified graphene nanopores*

  title={Ion and water transport in charge-modified graphene nanopores*},
  author={Yinghua Qiu and Kun Li and Weiyu Chen and Wei Si and Qiyan Tan and Yunfei Chen},
  journal={Chinese Physics B},
Porous graphene has a high mechanical strength and an atomic-layer thickness that makes it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solutions are a type of strong long-range interaction that may greatly influence fluid transport through nanopores. In this study, molecular dynamic simulations were conducted to investigate ion and water transport through 1.05-nm diameter monolayer graphene nanopores, with their… 
9 Citations

Figures from this paper

Impact of Surface Ionization on Water Transport and Salt Leakage through Graphene Oxide Membranes
Nanopores in graphene-based membranes have shown great potential in enabling highly efficient water desalination. The effective engineering of these membranes necessitates a fundamental understanding
Electrically-Driven Ion Transmission Through Two-Dimensional Nanomaterials
Two-dimensional nanomaterials such as graphene and hexagonal boron nitride are being intensively studied as selective barriers in separation technology owing to their unique subatomic selectivity. In
Molecular simulations of phenol and ibuprofen removal from water using multilayered graphene oxide membranes
We present here non-equilibrium molecular dynamic simulations concerning the separation of phenol and ibuprofen as impurities compounds (ICs) in water by novel graphene oxide (GO) membranes. The
Generating Sub-nanometer Pores in Single-Layer MoS2 by Heavy-Ion Bombardment for Gas Separation: A Theoretical Perspective.
The results suggest the potential application of ion beam technology in single-layer MoS2 for membrane separation and show much higher selectivity for separating H2/He and He/Ne than that reported for graphene and other membranes.
The Dynamics of Water in Porous Two-Dimensional Crystals.
Gaussian dynamics is used, a nonequilibrium molecular dynamics method that provides microscopic insights into the interactions that control the flows of both simple liquids and liquid water through atomically small channels, and finds that water molecules pass through the most hydrophobic membranes in a punctuated series of bursts that are separated by long pauses.
Incremental update of electrostatic interactions in adaptively restrained particle simulations
It is shown that the new algorithm's computational complexity scales with the number of active particles in the simulated system, and is able to outperform the well‐established Particle Particles Particle Mesh (P3M) for adaptively restrained simulations.


Ion selection of charge-modified large nanopores in a graphene sheet.
Graphene nanopores are promising candidates to be used in electrodialysis technology for water desalinations with a high permselectivity, according to the presence of negative charges at the edge of graphene nanopore.
Simulation insights for graphene-based water desalination membranes.
The results suggest that narrow graphene pores functionalized with hydroxyl groups remain effective at excluding Cl(-) ions even at moderate solution ionic strength, which could be useful for the design of water desalination membranes.
Water desalination across nanoporous graphene.
The results indicate that the water permeability of this material is several orders of magnitude higher than conventional reverse osmosis membranes, and that nanoporous graphene may have a valuable role to play for water purification.
Precise and Ultrafast Molecular Sieving Through Graphene Oxide Membranes
This work investigates permeation through micrometer-thick laminates prepared by means of vacuum filtration of graphene oxide suspensions, which reveal that the GO membrane can attract a high concentration of small ions into the membrane, which may explain the fast ion transport.
Selective ion passage through functionalized graphene nanopores.
Functionalized nanopores in graphene monolayers are designed and shown by molecular dynamics simulations that they provide highly selective passage of hydrated ions and have potential applications in molecular separation, desalination, and energy storage systems.
Graphene as a sub-nanometer trans-electrode membrane
It is shown that when immersed in an ionic solution, a layer of graphene becomes a new electrochemical structure that is called a trans-electrode, which is an ideal substrate for very high resolution, high throughput nanopore-based single-molecule detectors.
DNA translocation through graphene nanopores.
This work reports on DNA translocations through nanopores created in graphene membranes, a new class of nanopore devices in which electronic sensing and control are performed directly at the pore.
Nanotechnology: Holes with an edge
Graphene is strongly ionically insulating, while its in-plane electronic properties are strongly dependent on the inter-facial environment, and has potential as the basis of devices that could significantly reduce the cost of DNA sequencing.
Protein corona-mediated mitigation of cytotoxicity of graphene oxide.
The observation of this FBS-mitigated GO cytotoxicity effect may provide an alternative and convenient route to engineer nanomaterials for safe biomedical and environmental applications.
Unimpeded Permeation of Water Through Helium-Leak–Tight Graphene-Based Membranes
Submicrometer-thick membranes made from graphene oxide can be completely impermeable to liquids, vapors, and gases, including helium, but these membranes allow unimpeded permeation of water (H2O permeates through the membranes at least 1010 times faster than He).