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Graphene, a thinnest material in the world, can form moire structures on different substrates, including graphite, h-BN, or metal surfaces. In such systems the structure of graphene, i. e. its corrugation, as well as its electronic and…

Mesoscale and Nanoscale Physics · Physics 2016-07-12 Elena Voloshina , Yuriy Dedkov

The interaction between protons and graphene is attracting a large interest due to recent experiments showing that these charged species permeate through the 2D material following a low barrier (~ 0.8 eV) activated process. A possible…

Mesoscale and Nanoscale Physics · Physics 2019-01-10 Massimiliano Bartolomei , Marta I. Hernández , José Campos-Martınez , Ramón Hernández Lamoneda

Graphene is the first example of truly two-dimensional crystals - it's just one layer of carbon atoms. It turns out to be a gapless semiconductor with unique electronic properties resulting from the fact that charge carriers in graphene…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 M. I. Katsnelson , K. S. Novoselov

This study reports the successful synthesis of multilayered graphene sheets via microwave atmospheric pressure plasma. This innovative approach streamlines and expedites graphene production and other carbon nanostructures, eliminating the…

Plasma Physics · Physics 2024-03-07 Waqas Iqbal , Najeeb-ur-Rehman , Niaz Wali

We show by means of molecular dynamics simulations that graphene is an excellent coating for diamond. The transformation of diamond to amorphous carbon while sliding under pressure can be prevented by having at least two graphene layers…

Mesoscale and Nanoscale Physics · Physics 2015-11-05 M. M. van Wijk , A. Fasolino

Graphene is generally considered to be a strong candidate to succeed silicon as an electronic material. However, to date, it actually has not yet demonstrated capabilities that exceed standard semiconducting materials. Currently…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Yike Hu , Ming Ruan , Zelei Guo , Rui Dong , James Palmer , John Hankinson , Claire Berger , Walt A. de Heer

One-dimensional defects in graphene have strong influence on its physical properties, such as electrical charge transport and mechanical strength. With enhanced chemical reactivity, such defects may also allow us to selectively…

The optical conductance of monolayer graphene is defined solely by the fine structure constant. The absorbance has been predicted to be independent of frequency. In principle, the interband optical absorption in zero-gap graphene could be…

Nanostructured electronic devices, such as those based on graphene, are typically grown on top of the insulator SiO2. Their exposure to a flux of small size-selected silver nanoparticles has revealed remarkably selective adhesion: the…

Atomic and Molecular Clusters · Physics 2023-07-14 Patrick J. Edwards , Sean Stuart , James T. Farmer , Ran Shi , Run Long , Oleg V. Prezhdo , Vitaly V. Kresin

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

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

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

Methane, the primary constituent of natural gas, binds too weakly to nanostructured carbons to meet the targets set for on-board vehicular storage to be viable. We show, using density functional theory calculations, that replacing graphene…

Materials Science · Physics 2015-10-01 Rajiv K. Chouhan , Kanchan Ulman , Shobhana Narasimhan

Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 T. O. Wehling , K. S. Novoselov , S. V. Morozov , E. E. Vdovin , M. I. Katsnelson , A. K. Geim , A. I. Lichtenstein

We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes. Our DFT results of…

Computational Physics · Physics 2018-05-14 Bohayra Mortazavi , Meysam Makaremi , Masoud Shahrokhi , Zheyong Fan , Timon Rabczuk

By combining continuum elasticity theory and tight-binding atomistic simulations, we work out the constitutive nonlinear stress-strain relation for graphene stretching elasticity and we calculate all the corresponding nonlinear elastic…

Mesoscale and Nanoscale Physics · Physics 2010-06-04 Emiliano Cadelano , Pier Luca Palla , Stefano Giordano , Luciano Colombo

Selective ion transport is a hallmark of biological ion channel behavior but is a major challenge to engineer into artificial membranes. Here, we demonstrate, with all-atom molecular dynamics simulations, that bare graphene nanopores yield…

Mesoscale and Nanoscale Physics · Physics 2017-08-22 Subin Sahu , Michael Zwolak

We employ scanning probe microscopy to reveal atomic structures and nanoscale morphology of graphene-based electronic devices (i.e. a graphene sheet supported by an insulating silicon dioxide substrate) for the first time. Atomic resolution…

Materials Science · Physics 2008-11-05 Masa Ishigami , J. H. Chen , W. G. Cullen , M. S. Fuhrer , E. D. Williams

Graphene is a realization of an esoteric class of materials -- electronic crystalline membranes. We study the interplay between the free electrons and the two-dimensional crystal, and find that it induces a substantial effect on the elastic…

Materials Science · Physics 2009-03-31 Doron Gazit

Graphene constitutes one of the key elements in many functional van der Waals heterostructures. However, it has negligible optical visibility due to its monolayer nature. Here we study the visibility of graphene in various van der Waals…