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We use density functional theory to determine the equilibrium shape of graphene flakes, through the calculation of the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a nearly…

Mesoscale and Nanoscale Physics · Physics 2011-08-08 Chee Kwan Gan , David J. Srolovitz

The thermal conductivity of graphene nanoribbons (layer from 1 to 8 atomic planes) is investigated by using the nonequilibrium molecular dynamics method. We present that the room-temperature thermal conductivity decays monotonically with…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Wei-Rong Zhong , Mao-Ping Zhang , Bao-Quan Ai , Dong-Qin Zheng

More than a decade after the discovery of graphene, ballistic transport in nanostructures based on this intriguing material still represents a challenging field of research in two-dimensional electronics. The presence of rough edges in…

We study the effects of uniaxial strains on the transport properties of the graphene nanoribbons(GNRs) connected with two metallic leads in heterojunctions, using the transfer matrix method. Two typical GNRs with zigzag and armchair…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Jing Wang , Guiping Zhang , Fei Ye , Xiaoqun Wang

Atomically precise graphene nanoribbons (GNRs) have emerged as promising candidates for nanoelectronic applications due to their widely tunable energy band gaps resulting from lateral quantum confinement and edge effects. Here we report on…

Using non-equilibrium molecular dynamics method(NEMD), we have found that the thermal conductivity of multilayer graphene nanoribbons monotonously decreases with the increase of the number of layers, such behavior can be attributed to the…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Hai-Yuan Cao , Zhi-Xin Guo , Hongjun Xiang , Xin-Gao Gong

Bilayer graphene nanoribbon with zigzag edge is investigated with the tight binding model. Two stacking structures, alpha and beta, are considered. The band splitting is seen in the alpha structure, while the splitting in the wave number…

Mesoscale and Nanoscale Physics · Physics 2012-11-21 Kikuo Harigaya , Hiroshi Imamura , Katsunori Wakabayashi , Osman Ozsoy

We investigate the combined influence of structural defects and uniaxial longitudinal strain on the electronic transport properties of armchair graphene nanoribbons using the numerical approach based on the semiempirical tight-binding…

Mesoscale and Nanoscale Physics · Physics 2013-09-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

We have investigated the magnetoresistance of lithographically prepared single-layer graphene nanoribbons in pulsed, perpendicular magnetic fields up to 60 T and performed corresponding transport simulations using a tight-binding model and…

Mesoscale and Nanoscale Physics · Physics 2012-05-24 S. Minke , S. H. Jhang , J. Wurm , Y. Skourski , J. Wosnitza , C. Strunk , D. Weiss , K. Richter , J. Eroms

We present a novel and comprehensive model of 1/f noise in nanoscale graphene devices that accounts for the unusual and so far unexplained experimental characteristics. We find that the noise power spectral density versus carrier…

Mesoscale and Nanoscale Physics · Physics 2013-09-16 Bruno Pellegrini

We investigate the transport properties of double-gated bilayer graphene nanoribbons at room temperature. The devices were fabricated using conventional CMOS-compatible processes. By analyzing the dependence of the resistance at the charge…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Bartholomaeus N. Szafranek , Daniel Schall , Martin Otto , Daniel Neumaier , Heinrich Kurz

The band structures of strained graphene nanoribbons (GNRs) are examined by a tight binding Hamiltonian that is directly related to the type and strength of strains. Compared to the two-dimensional graphene whose band gap remains close to…

Mesoscale and Nanoscale Physics · Physics 2010-01-20 Yang Lu , Jing Guo

The near-field Coulomb interaction between a nano-emitter and a graphene monolayer results in strong F\"orster-type resonant energy transfer and subsequent fluorescence quenching. Here, we investigate the distance dependence of the energy…

Using classical molecular dynamics simulation, we have studied the effect of edge-passivation by hydrogen (H-passivation) and isotope mixture (with random or supperlattice distributions) on the thermal conductivity of rectangular graphene…

Mesoscale and Nanoscale Physics · Physics 2016-11-27 Jiuning Hu , Stephen Schiffli , Ajit Vallabhaneni , Xiulin Ruan , Yong P. Chen

We study the effect of the edge disorder on the conductance of the graphene nanoribbons (GNRs). We find that only very modest edge disorder is sufficient to induce the conduction energy gap in the otherwise metallic GNRs and to lift any…

Mesoscale and Nanoscale Physics · Physics 2008-12-17 M. Evaldsson , I. V. Zozoulenko , Hengyi Xu , T. Heinzel

Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Young-Woo Son , Marvin L. Cohen , Steven G. Louie

We theoretically investigate the thermoelectric properties of zigzag graphene nanoribbons in the presence of extended line defects, substrate impurities and edge roughness along the nanoribbon's length. A nearest-neighbor tight-binding…

Materials Science · Physics 2012-03-12 Hossein Karamitaheri , Neophytos Neophytou , Mahdi Pourfath , Rahim Faez , Hans Kosina

Carbon-based nanostructures and graphene, in particular, evoke a lot of interest as new promising materials for nanoelectronics and spintronics. One of the most important issue in this context is the impact of external electrodes on…

Mesoscale and Nanoscale Physics · Physics 2012-03-16 S. Krompiewski

We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized with p-polyphenyl and polyacene groups of increasing length. Our nearest-neighbor tight-binding calculations…

Mesoscale and Nanoscale Physics · Physics 2020-10-01 Kristiāns Čerņevičs , Michele Pizzochero , Oleg V. Yazyev

To achieve high thermal conductivity (k) of polymer graphene nanocomposites, it is critically important to achieve efficient thermal coupling between graphene and its surrounding polymers through effective functionalization schemes. In this…

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