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Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place…

Materials Science · Physics 2009-11-13 Pekka Koskinen , Sami Malola , Hannu Häkkinen

In this paper, we apply the first-principle theory to explore how the electronic structures of armchair graphene nanoribbons (AGNRs) are affected by chemical modifications. The edge addends include H, F, N, NH$_{2}$, and NO$_{2}$. Our…

Materials Science · Physics 2007-11-13 Hao Ren , Qunxiang Li , Haibin Su , Q. W. Shi , Jie Chen , Jinlong Yang

The remarkable electronic properties of graphene have fueled the vision of a graphene-based platform for lighter, faster and smarter electronics and computing applications. One of the challenges is to devise ways to tailor its electronic…

We have studied the effect of photoelectrons on defect formation in graphene during extreme ultraviolet (EUV) irradiation. Assuming the major role of these low energy electrons, we have mimicked the process by using low energy primary…

Materials Science · Physics 2014-08-26 A. Gao , C. J. Lee , F. Bijkerk

As the thinnest atomic membrane, graphene presents an opportunity to combine geometry, elasticity and electronics at the limits of their validity. The availability of reliable atomistic potentials for graphene allows unprecedented precise…

Mesoscale and Nanoscale Physics · Physics 2010-10-27 Vitor M. Pereira , A. H. Castro Neto , H. Y. Liang , L. Mahadevan

The {\AA}ngstr\"om-sized probe of the scanning transmission electron microscope can visualize and collect spectra from single atoms. This can unambiguously resolve the chemical structure of materials, but not their isotopic composition.…

Atomic vacancies have a strong impact in the mechanical, electronic and magnetic properties of graphene-like materials. By artificially generating isolated vacancies on a graphite surface and measuring their local density of states on the…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 M. M. Ugeda , I. Brihuega , F. Guinea , J. M. Gomez-Rodriguez

Graphene covered metal nanoparticles constitute a novel type of hybrid materials, which provide a unique platform to study plasmonic effects, surface-enhanced Raman scattering (SERS), and metal-graphene interactions at the nanoscale. Such a…

Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…

Materials Science · Physics 2008-08-27 Sumit Saxena , Trevor A. Tyson

Compressed hydrogen passes through a series of layered structures in which the layers can be viewed as distorted graphene sheets. The electronic structures of these layered structures can be understood by studying simple model systems- an…

Materials Science · Physics 2013-05-22 Ivan I. Naumov , R. E. Cohen , Russell J. Hemley

We present scanning tunneling microscopy (STM) images of single-layer graphene crystals examined under ultrahigh vacuum conditions. The samples, with lateral dimensions on the micron scale, were prepared on a silicon dioxide surface by…

While preserving many of the unusual features of single-layer graphene, few-layer graphene (FLG) provides a richness and flexibility of electronic structure that render this set of materials of great interest for both fundamental studies…

Mesoscale and Nanoscale Physics · Physics 2009-08-04 Kin Fai Mak , Matthew Y. Sfeir , James A. Misewich , Tony F. Heinz

Graphene is a unique two-dimensional material with rich new physics and great promise for applications in electronic devices. Physical phenomena such as the half-integer quantum Hall effect and high carrier mobility are critically dependent…

Strains strongly affect the properties of low-dimensional materials, such as graphene. By combining in situ, in operando, reflection high energy electron diffraction experiments with first-principles calculations, we show that large…

Materials Science · Physics 2013-09-03 Nils Blanc , Fabien Jean , Arkady V. Krasheninnikov , Gilles Renaud , Johann Coraux

Efforts aimed at scaling fabrication processes to the level of single atoms, dubbed atom-by-atom fabrication or atomic fabrication, invariably encounter the obstacle of atomic scale cleanliness. When considering atomic fabrication,…

Materials Science · Physics 2024-12-03 Ondrej Dyck , Aisha Okmi , Kai Xiao , Sidong Lei , Andrew R. Lupini , Stephen Jesse

Graphene is the extreme material for molecular sensory and hydrogen storage applications because of its two-dimensional geometry and unique structure-property relationship. In this Letter, hydrogenation of graphene is discussed in the…

Materials Science · Physics 2010-02-10 Zhiping Xu , Kun Xue

The term sample dependence describes the troublesome tendency of nominally equivalent samples to exhibit different physical properties. High entropy oxides (HEOs) are a class of materials where sample dependence has the potential to be…

Scanning transmission electron microscopy (STEM) is now the primary tool for exploring functional materials on the atomic level. Often, features of interest are highly localized in specific regions in the material, such as ferroelectric…

Materials Science · Physics 2021-08-11 Nicole Creange , Ondrej Dyck , Rama K. Vasudevan , Maxim Ziatdinov , Sergei V. Kalinin

We report an atomically-resolved scanning tunneling microscopy (STM) investigation of the edges of graphene grains synthesized on Cu foils by chemical vapor deposition (CVD). Most of the edges are macroscopically parallel to the zigzag…

Mesoscale and Nanoscale Physics · Physics 2011-09-20 Jifa Tian , Helin Cao , Wei Wu , Qingkai Yu , Yong P. Chen

Here we report a facile method to generate a high density of point defects in graphene on metal foil and show how the point defects affect the electronic structures of graphene layers. Our scanning tunneling microscopy (STM) measurements,…

Mesoscale and Nanoscale Physics · Physics 2013-10-08 Hui Yan , Cheng-Cheng Liu , Ke-Ke Bai , Xuejiao Wang , Mengxi Liu , Wei Yan , Lan Meng , Yanfeng Zhang , Zhongfan Liu , Jia-Cai Nie , Yugui Yao , Lin He
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