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We use a multiscale procedure to derive a simple continuum model of multiwalled carbon nanotubes that takes into account both strong covalent bonds within graphene layers and weak bonds between atoms in different layers. The model predicts…

Materials Science · Physics 2008-06-09 Dmitry Golovaty , Shannon Talbott

Theoretical progress in graphene physics has largely relied on the application of a simple nearest-neighbor tight-binding model capable of predicting many of the electronic properties of this material. However, important features that…

Mesoscale and Nanoscale Physics · Physics 2019-04-03 Z. M. Abd El-Fattah , M. A. Kher-Elden , I. Piquero-Zulaica , F. J. Garcia de Abajo , J. E. Ortega

Experimental and theoretical results on chemical functionalization of graphene are reviewed. Using hydrogenated graphene as a model system, general principles of the chemical functionalization are formulated and discussed. It is shown that,…

Materials Science · Physics 2009-01-05 D. W. Boukhvalov , M. I. Katsnelson

The development of wafer-scale continuous single-crystal graphene layers is key in view of its prospective applications. To this end, here we pave the way for a graphene growth model in the framework of the Langmuir adsorption theory and…

Materials Science · Physics 2013-05-14 HoKwon Kim , Eduardo Saiz , Manish Chhowalla , Cecilia Mattevi

The increasing demand for sustainable energy solutions necessitates advancements in hydrogen storage technologies. This study investigates the hydrogen adsorption characteristics of graphene and a (8,0) carbon nanotube (CNT) decorated with…

Materials Science · Physics 2025-09-16 Thomas Leiner , David Holec

Graphene is the physical realization of many fundamental concepts and phenomena in solid state-physics, but in the long list of graphene remarkable properties, a fundamental block is missing: superconductivity. Making graphene…

Superconductivity · Physics 2011-05-20 Gianni Profeta , Matteo Calandra , Francesco Mauri

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

Understanding how water wets graphene is critical for predicting and controlling its behaviour in nanofluidic, sensing, and energy applications. A key measure of wetting is the contact angle made by a liquid droplet against the surface, yet…

Mesoscale and Nanoscale Physics · Physics 2026-05-04 Darren Wayne Lim , Xavier R. Advincula , William C. Witt , Angelos Michaelides , Fabian L. Thiemann , Christoph Schran

Owing to wide variety of applications of graphene, high-quality and economical way of synthesizing graphene is highly desirable. In this study, we report a cost effective and simple approach to production of high-quality graphene. Here the…

Materials Science · Physics 2013-10-29 Prashant Tripathi , Ch. Ravi Prakash Patel , M. A. Shaz , O. N. Srivastava

Using a scanning electron microscope, we observed a reproducible, discrete distribution of secondary electron intensity stemming from an atomically thick graphene film on a thick insulating substrate. The discrete distribution made it…

Materials Science · Physics 2010-09-29 Hidefumi Hiura , Hisao Miyazaki , Kazuhito Tsukagoshi

Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By controlling the ion parameters including mass, energy and…

Mesoscale and Nanoscale Physics · Physics 2016-03-10 Weisen Li , Li Liang , Shijun Zhao , Shuo zhang , Jianming Xue

While crystalline two-dimensional materials have become an experimental reality during the past few years, an amorphous 2-D material has not been reported before. Here, using electron irradiation we create an sp2-hybridized one-atom-thick…

Materials Science · Physics 2011-03-22 J. Kotakoski , A. V. Krasheninnikov , U. Kaiser , J. C. Meyer

We report an investigation of the graphene/substrate interface morphology in large-area polycrystalline graphene grown by chemical-vapour deposition and wet-transferred onto Si wafers. We combined spectroscopic ellipsometry, X-ray…

A computational method is developed whereby the reflectivity of low-energy electrons from a surface can be obtained from a first-principles solution of the electronic structure of the system. The method is applied to multilayer graphene.…

Mesoscale and Nanoscale Physics · Physics 2014-01-21 R. M. Feenstra , M. Widom

Time-dependent density-functional theory simulations are performed to examine the effects of varying incident points and kinetic energies of hydrogen atom projectiles on a graphene-like structure. The simulations reveal that the incident…

Materials Science · Physics 2024-12-11 Samuel S. Taylor , Nicholas Skoufis , Hongbo Du , Cody Covington , Kalman Varga

Graphene Oxide and reduced Graphene Oxide are intriguing materials for photonics and electronic devices both for intrinsic characteristics and as precursors for the synthesis of graphene. Whatever the application and the engineering…

The ability of graphene to support long-lived, electrically tunable plasmons that interact strongly with light, combined with its highly nonlinear optical response, has generated great expectations for application of the atomically-thin…

Mesoscale and Nanoscale Physics · Physics 2017-04-12 Joel D. Cox , Iván Silveiro , F. Javier García de Abajo

We demonstrate the growth of graphene nanocrystals by molecular beam methods that employ a solid carbon source, and that can be used on a diverse class of large area dielectric substrates. Characterization by Raman and Near Edge X-ray…

Chemical functionalization of graphene holds promise for various applications ranging from nanoelectronics to catalysis, drug delivery, and nanoassembly. In many applications it is important to be able to transport adsorbates on graphene in…

Mesoscale and Nanoscale Physics · Physics 2013-03-28 Dmitry Solenov , Kirill A. Velizhanin

The nonlinear frequencies of pre-stressed graphene-based structures, such as flat graphene sheets and carbon nanotubes, are calculated. These structures are modeled with a nonlinear hyperelastic shell model. The model is calibrated with…

Computational Engineering, Finance, and Science · Computer Science 2018-04-03 Reza Ghaffari , Roger A. Sauer
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