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Graphene-based membranes have been investigated as promising candidates for water filtration and gas separation applications. Experimental evidences have shown that graphene oxide can be impermeable to liquids, vapors and gases, while…

Materials Science · Physics 2017-02-02 Daiane D. Borges , Cristiano F. Woellner , Pedro A. S. Autreto , Douglas S. Galvao

There has been intense interest in filtration and separation properties of graphene-based materials that can have well-defined nanometer pores and exhibit low frictional water flow inside them. Here we investigate molecular permeation…

Materials Science · Physics 2014-02-18 R. K. Joshi , P. Carbone , F. C. Wang , V. G. Kravets , Y. Su , I. V. Grigorieva , H. A. Wu , A. K. Geim , R. R. Nair

A novel concept of membrane process in thermal-driven system is proposed for water desalination. By means of molecular dynamics simulations, we show fast water transport through graphene galleries at a temperature gradient. Water molecules…

Soft Condensed Matter · Physics 2018-10-29 Bo Chen , Haifeng Jiang , Huidong Liu , Kang Liu , Xiang Liu , Xuejiao Hu

Water transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore water permeation in graphene oxide membranes using…

Mesoscale and Nanoscale Physics · Physics 2014-06-05 Ning Wei , Xinsheng Peng , Zhiping Xu

Permeation through nanometer pores is important in the design of materials for filtration and separation techniques and because of unusual fundamental behavior arising at the molecular scale. We found that submicron-thick membranes made…

Materials Science · Physics 2012-01-30 R. R. Nair , H. A. Wu , P. N. Jayaram , I. V. Grigorieva , A. K. Geim

Water inside a nanocapillary becomes ordered, resulting in unconventional behavior. A profound enhancement of water flow inside nanometer thin capillaries made of graphene has been observed [B. Radha et.al., Nature (London) 538, 222…

Soft Condensed Matter · Physics 2018-09-05 M. Neek-Amal , A. Lohrasebi , M. Mousaei , F. Shayeganfar , B. Radha , F. M. Peeters

Molecular dynamics simulation is utilized to investigate the ionic transport of NaCl in solution through a graphene nanopore under an applied electric field. Results show the formation of concentration polarization layers in the vicinity of…

Biological Physics · Physics 2013-01-10 Guohui Hu , Mao Mao , Sandip Ghosal

Isolated, atomically thin conducting membranes of graphite, called graphene, have recently been the subject of intense research with the hope that practical applications in fields ranging from electronics to energy science will emerge.…

Mesoscale and Nanoscale Physics · Physics 2010-09-17 S. Garaj , W. Hubbard , A. Reina , J. Kong , D. Branton , J. A. Golovchenko

Porous graphene has high mechanical strength and atomic layer thickness, which make it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solution are a kind of strong…

Chemical Physics · Physics 2016-08-02 Yinghua Qiu , Kun Li , Weiyu Chen , Wei Si , Qiyan Tan , Yunfei Chen

Ultrahigh water permeance, together with a high rejection rate through nanofiltration and separation membranes1,2, is crucial but still challenging for multivalent ion sieving in water treatment processes of desalination, separation, and…

Diffusion across surfaces generally involves motion on a vibrating but otherwise stationary substrate. Here, using molecular dynamics, we show that a layered material such as graphene opens up a new mechanism for surface diffusion whereby…

Chemical Physics · Physics 2016-11-30 Ming Ma , Gabriele Tocci , Angelos Michaelides , Gabriel Aeppli

Graphene, the atomically-thin honeycomb carbon lattice, is a highly conducting 2D material whose exposed electronic structure offers an ideal platform for sensing. Its biocompatible, flexible, and chemically inert nature associated to the…

The understanding of water transport in graphene oxide (GO) membranes stands out as a major theoretical problem in graphene research. Notwithstanding the intense efforts devoted to the subject in the recent years, a consolidated picture of…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 A. Montessori , C. A. Amadei , G. Falcucci , M. Sega , C. D. Vecitis , S. Succi

Graphyne-4 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 graphyne-4, with 4…

Materials Science · Physics 2015-02-06 Chongqin Zhu , Hui Li , Xiao Cheng Zeng , Sheng Meng

Fast slip flow was reported for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization…

Mesoscale and Nanoscale Physics · Physics 2014-06-05 Ning Wei , Zhiping Xu

Formation, evolution, and vanishing of bubbles are common phenomena in our nature, which can be easily observed in boiling or falling waters, carbonated drinks, gas-forming electrochemical reactions, etc. However, the morphology and the…

Equilibrium molecular dynamics simulations are used to investigate the effect of phase transitions on the transport properties of highly-confined water between parallel graphene sheets. An abrupt reduction by several orders of magnitude in…

Computational Physics · Physics 2019-01-23 Frederike Jaeger , Omar K. Matar , Erich A. Müller

We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated…

Materials Science · Physics 2017-08-23 Quentin Berrod , Samuel Hanot , Armel Guillermo , Stefano Mossa , Sandrine Lyonnard

Understanding the interactions of ambient molecules with graphene and adjacent dielectrics is of fundamental importance for a range of graphene-based devices, particularly sensors, where such interactions could influence the operation of…

Mesoscale and Nanoscale Physics · Physics 2015-11-30 Eric J. Olson , Rui Ma , Tao Sun , Mona A. Ebrish , Nazila Haratipour , Kyoungmin Min , Narayana R. Aluru , Steven J. Koester

Various properties of water are affected by confinement as the space-filling of the water molecules is very different from bulk water. In our study, we challenged the creation of a stable system in which water molecules are permanently…

Mesoscale and Nanoscale Physics · Physics 2026-04-28 Tim Verhagen , Jiri Klimes , Barbara Pacakova , Martin Kalbac , Jana Vejpravova
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