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Hydrogenation of graphene on the \alpha-quartz (0001) SiO_2 substrate is studied, considering different surface terminations in order to take into account the amorphic nature of the material. Our ab initio calculations show that the…

Mesoscale and Nanoscale Physics · Physics 2012-01-16 P. Havu , M. Ijäs , A. Harju

Annealing the Ru metal that typically contains residual carbon impurities offers a facile way to grow graphene on Ru(0001) at the macroscopic scale. Two superstructures of the graphene/Ru(0001) interface with periodicities of 3.0-nm and…

Materials Science · Physics 2011-11-09 De-en Jiang , Mao-Hua Du , Sheng Dai

Motivated by problems involving triangle-decompositions of graphs, we examine the facet structure of the cone $\tau_n$ of weighted graphs on $n$ vertices generated by triangles. Our results include enumeration of facets for small $n$, a…

Combinatorics · Mathematics 2019-11-12 Coen del Valle , Peter Dukes , Kseniya Garaschuk

We have performed an ab initio investigation of the electronic properties of the graphene sheet adsorbed by Ru adatoms (Ru/graphene). For a particular set of triangular arrays of Ru adatoms, we find the formation of four (spin-polarized)…

Mesoscale and Nanoscale Physics · Physics 2014-05-01 C. Mera Acosta , Matheus P. Lima , R. H. Miwa , Antonio J. R. da Silva , A. Fazzio

Density functional theory has been employed to study graphene on the (111), (100) and (110) surfaces of silicon (Si) substrates. There are several interesting findings. First, carbon atoms in graphene form covalent bonds with Si atoms, when…

Materials Science · Physics 2021-07-14 Y. W. Sun , D. Holec , D. Gehringer , L. Li , O. Fenwick , D. J. Dunstan , C. J. Humphreys

We use computer simulations and simple theoretical models to analyze the morphologies that result when rod-like particles end-attach onto a curved surface, creating a finite-thickness monolayer aligned with the surface normal. This geometry…

Soft Condensed Matter · Physics 2016-07-01 Naiyin Yu , Abhijit Ghosh , Michael F. Hagan

The crystallographic structure of CdSe nanoparticles attached to carbon nanotubes has been elucidated by means of high resolution transmission electron microscopy and high angle annular dark field scanning transmission electron microscopy…

Materials Science · Physics 2015-07-20 Ana B. Hungria , Paul A. Midgley , Beatriz H. Juarez , Christian Klinke , Horst Weller

Chemical vapor deposition (CVD) has been proposed for large-scale graphene synthesis for practical applications. However, the inferior electronic properties of CVD graphene are one of the key problems to be solved. In this study, we present…

Mesoscale and Nanoscale Physics · Physics 2016-06-01 Shaohua Xiang , Vaidotas Miseikis , Luca Planat , Stefano Guiducci , Stefano Roddaro , Camilla Coletti , Fabio Beltram , Stefan Heun

Effects of annealing on chemical vapor deposited graphene are investigated via a weak localization magnetoresistance measurement. Annealing at \SI{300}{\celsius} in inert gases, a common cleaning procedure for graphene devices, is found to…

Mesoscale and Nanoscale Physics · Physics 2021-10-12 Hyungki Shin , Ebrahim Sajadi , Ali Khademi , Silvia Lüscher , Joshua A. Folk

The adsorption of pentacene on Cu(221), Cu(511) and Cu(911) is investigated using density functional theory (DFT) with the self-consistent inclusion of van der Waals (vdW) interactions. Cu(211) is a vicinal of Cu(111) while Cu(511) and…

Materials Science · Physics 2016-09-21 Jeronimo Matos , Abdelkader Kara

We have used scanning tunneling microscopy to study the growth of graphene on a periodically stepped Ir(332) substrate surface, which is a promising route for modification of graphene properties. We have found that graphene continuously…

Mesoscale and Nanoscale Physics · Physics 2015-11-23 Iva Šrut , Vesna Mikšić Trontl , Petar Pervan , Marko Kralj

We report on an alternative route based on nanomechanical folding induced by AFM tip to obtain weakly interacting multi-layer graphene (wi-MLG) from a chemical vapor deposition (CVD) grown single-layer graphene (SLG). The tip first cuts,…

Mesoscale and Nanoscale Physics · Physics 2019-07-26 C. Pardanaud , A. Merlen , K Gratzer , O. Chuzel , D Nikolaievskyi , L. Patrone , S. Clair , R Ramirez Jimenez , A de Andrés , P. Roubin , J. -L Parrain

Although sheets of layered van der Waals solids offer great opportunities to custom-design nanomaterial properties, their weak interlayer adhesion challenges structural stability against mechanical deformation. Here, bending-induced…

Materials Science · Physics 2013-09-05 Pekka Koskinen

Patterned graphene shows substantial potential for applications in future molecular-scale integrated electronics. Environmental effects are a critical issue in a single layer material where every atom is on the surface. Especially…

We study the dependence of mechanical conformations of graphene sheets located on flat substrates on the density of unilateral (one-side) attachment of hydrogen, fluorine or chlorine atoms to them. It is shown that chemically modified…

Mesoscale and Nanoscale Physics · Physics 2020-01-08 Alexander V. Savin , Yuriy A. Kosevich

Graphene films prepared by heating the SiC(000-1) surface (the C-face of the {0001} surfaces) in vacuum or in a Si-rich environment are compared. It is found that different interface structures occur for the two situations. The former…

Materials Science · Physics 2015-06-03 N. Srivastava , Guowei He , Luxmi , R. M. Feenstra

We report the results of X-ray spectroscopy and Raman measurements of as-prepared graphene on a high quality copper surface and the same materials after 1.5 years under different conditions (ambient and low humidity). The obtained results…

Graphene and carbon nanotubes (CNTs) share the same atomic structure of hexagonal carbon lattice. Yet, their synthesis differs in many aspects, including the shape and size of the catalyst. Here, we demonstrate a floating-catalyst chemical…

The use of a novel three-dimensional graphene structure allows circumventing the limitations of the two-dimensional nature of graphene and its application in hydrogen absorption. Here we investigate hydrogen-bonding on monolayer graphene…

A few years ago, by means of first-principles calculations, Enyashin et al.(2011) proposed several novel monolayers of carbon containing rings other than hexagons. One of those monolayers containing tetragons and octagons was investigated…

Materials Science · Physics 2025-06-26 Arifa Nazir , Alok Shukla