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Using extensive room-temperature molecular dynamics simulations, we investigate selective aqueous cation trapping and permeation in graphene-embedded 18-crown-6 ether pores. We show that in the presence of suspended water-immersed…

Applied Physics · Physics 2018-07-02 A. Smolyanitsky , E. Paulechka , K. Kroenlein

Interaction between carbon nanomaterials and micellar substrates is studied. A notable observation is the dependence of nano-surface topology on thermodynamic signatures of the carbon nanomaterials e.g., single wall carbon nanotube (SWNT),…

Materials Science · Physics 2015-07-08 Tamoghna Bhattacharyaa , Anjan Kr. Dasgupta

The renewable energy sector critically needs low-cost and environmentally neutral energy storage solutions throughout the entire device life cycle. However, the limited performance of standard water-based electrochemical systems prevents…

The wetting properties of graphene have proven controversial and difficult to assess. The presence of a graphene layer on top of a substrate does not significantly change the wetting properties of the solid substrate, suggesting that a…

Soft Condensed Matter · Physics 2017-02-10 Bijoyendra Bera , Noushine Shahidzadeh , Himanshu Mishra , Daniel Bonn

Energy and water issues are the two main global challenges faced by human in the past decade. The rapid growth in global energy consumption and greenhouse gas emissions have encouraged the exploration of renewable energy sources as…

Materials Science · Physics 2022-08-02 Arvin Shadravan , Mahmood Amani

Graphene-based materials have been suggested for applications ranging from nanoelectronics to nanobiotechnology. However, the realization of graphene-based technologies will require large quantities of free-standing two-dimensional (2D)…

Recent experimental observations have reported that, rather than randomly distributed, nitrogen atoms may prefer to be located on one of the two sub-lattices of graphene. It has been suggested that such a preference may present a possible…

Mesoscale and Nanoscale Physics · Physics 2015-09-30 James A. Lawlor , Mauro S. Ferreira

Recently, it was proposed that graphene membranes could act as impermeable atomic structures to standard gases. For some other applications, a higher level of porosity is needed, and the so-called Porous Graphene (PG) and Biphenylene Carbon…

Mesoscale and Nanoscale Physics · Physics 2019-06-05 G. Brunetto , D. S. Galvao

We demonstrate that a monolayer graphene membrane is impermeable to standard gases including helium. By applying a pressure difference across the membrane, we measure both the elastic constants and the mass of a single layer of graphene.…

The flow of water in carbon nanochannels has defied understanding thus far, with accumulating experimental evidence for ultra-low friction, exceptionally high water flow rates, and curvature-dependent hydrodynamic slippage. These unique…

Mesoscale and Nanoscale Physics · Physics 2022-02-08 Nikita Kavokine , Marie-Laure Bocquet , Lydéric Bocquet

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

The aim of the paper is the study of fluid mixtures in nanotubes by the methods of continuum mechanics. The model starts from a statistical distribution in mean-field molecular theory and uses a density expansion of Taylor series. We get a…

Fluid Dynamics · Physics 2018-08-01 Henri Gouin , Augusto Muracchini , Tommaso Ruggeri

We calculate the interaction energy and force between atoms and molecules and single-walled carbon nanotubes described by the Dirac model of graphene. For this purpose the Lifshitz-type formulas adapted for the case of cylindrical geometry…

Materials Science · Physics 2015-05-30 Yu. V. Churkin , G. L. Klimchitskaya , A. B. Fedortsov , V. A. Yurova

The synthesis of single-wall carbon nanotubes (SWCNTs) of desired diameters and chiralities is critical to the design of nanoscale electronic devices with desired properties.1-6 The existing methods are based on self-assembly, 7-16…

Materials Science · Physics 2009-11-13 Anton Sidorov , David Mudd , Gamini Sumanasekera , P. J. Ouseph , C. S. Jayanthi , Shi-Yu Wu*

The interface between a liquid and a solid is the location of plethora of intrincate mechanisms at the nanoscale, at the root of their specific emerging properties in natural processes or technological applications. However, while the…

Monolayer graphene exhibits exceptional electronic and mechanical properties, making it a very promising material for nanoelectromechanical (NEMS) devices. Here, we conclusively demonstrate the piezoresistive effect in graphene in a…

Mesoscale and Nanoscale Physics · Physics 2013-07-12 A. D. Smith , F. Niklaus , A. Paussa , S. Vaziri , A. C. Fischer , M. Sterner , F. Forsberg , A. Delin , D. Esseni , P. Palestri , M. Östling , M. C. Lemme

The graphene membrane irradiated by weak activating alternative electric field in terahertz range was considered. The quantum approach based on the time-dependent density matrix method was used. The exact solution was obtained for graphene…

Mesoscale and Nanoscale Physics · Physics 2015-11-18 N. E. Firsova , Yu. A. Firsov

Herein we firstly introduce a straightforward, scalable and technologically relevant strategy to manufacture charged porous polymer membranes (CPMs) in a controllable manner. The pore sizes and porous architectures of CPMs are…

Applied Physics · Physics 2019-01-16 Yue Shao , Zhiping Jiang , Yunjing Zhang , Tongzhou Wang , Peng Zhao , Zhe Zhang , Jiayin Yuan , Hong Wang

This work describes the behaviour of water molecules in 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid under nanoconfinement between graphene sheets. By means of molecular dynamics simulations, an adsorption of water molecules…

Weakly bound, physisorbed hydrocarbons could in principle provide a similar water-repellency as obtained by chemisorption of strongly bound hydrophobic molecules at surfaces. Here we present experiments and computer simulations on the…