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Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…

Materials Science · Physics 2015-05-13 Ricardo Faccio , Pablo A. Denis , Helena Pardo , Cecilia Goyenola , Alvaro W. Mombru

In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…

Computational Physics · Physics 2021-03-11 Mahnoosh Rostami , Isa Ahmadi , Farhad Khoeini

We investigate localization effects in zigzag graphene nanoribbons with quasiperiodic Fibonacci-type edge extensions, accounting for electron-electron interactions. We employ a tight-binding model that includes first- and…

Mesoscale and Nanoscale Physics · Physics 2026-05-15 Diego B. Fonseca , Anderson L. R. Barbosa , Luiz Felipe C. Pereira

We investigate magneto-transport through graphene nano-ribbons as a function of gate and bias voltage, and temperature. We find that a magnetic field systematically leads to an increase of the conductance on a scale of a few tesla. This…

Mesoscale and Nanoscale Physics · Physics 2010-10-12 Jeroen B. Oostinga , Benjamin Sacepe , Monica F. Craciun , Alberto F. Morpurgo

We analyze the relevance of finite-size effects to the electronic structure of long graphene nanoribbons using a divide and conquer density functional approach. We find that for hydrogen terminated graphene nanoribbons most of the physical…

Materials Science · Physics 2007-12-04 Oded Hod , Juan E. Peralta , Gustavo E. Scuseria

Interfacial thermal transport between graphene and water plays a critical role in a wide range of thermal and energy applications. Although chemical functionalization can significantly enhance graphene-water interfacial thermal conductance,…

Mesoscale and Nanoscale Physics · Physics 2026-02-19 John Crosby , Haoran Cui , Mehrab Lotfpour , Yan Wang , Lei Cao

In the present study the stress transfer mechanism in graphene-polymer systems under tension is examined experimentally using the technique of laser Raman microscopy. We discuss in detail the effect of graphene edge geometry, lateral size…

Applied Physics · Physics 2019-12-11 Ch. Androulidakis , D. Sourlantzis , E. N. Koukaras , A. C. Manikas , C. Galiotis

We will present brief overview on the electronic and transport properties of graphene nanoribbons focusing on the effect of edge shapes and impurity scattering. The low-energy electronic states of graphene have two non-equivalent massless…

Mesoscale and Nanoscale Physics · Physics 2009-09-30 Katsunori Wakabayashi , Yositake Takane , Masayuki Yamamoto , Manfred Sigrist

This article reviews the basic theoretical aspects of graphene, a one atom thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric…

Other Condensed Matter · Physics 2009-01-15 A. H. Castro Neto , F. Guinea , N. M. R. Peres , K. S. Novoselov , A. K. Geim

Nanostructuring materials at small scales enables control over their physical properties, revealing behaviors not observed at larger dimensions. This strategy is particularly effective in two-dimensional (2D) materials, where surface…

Armchair graphene nanoribbons with different proportions of edge oxygen atoms are investigated by using crystal orbital method based on density functional theory. All the nanoribbons are energetically favorable, although buckled edges are…

Materials Science · Physics 2014-11-07 Hongyu Ge , Guo Wang , Yi Liao

The electronic properties of a material depend on the spatial freedom of the electron wavefunction. A well-known example is graphite, which is a conventional gapless semiconductor, while a single layer of it, graphene, exhibits extremely…

Mesoscale and Nanoscale Physics · Physics 2026-01-28 Mohammadamir Bazrafshan , Thomas. D. Kühne

We study by density functional and large scale tight-binding transport calculations the electronic structure, magnetism and transport properties of the recently proposed graphene ribbons with edges rolled to form nanotubes. Edges with…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 M. A. Akhukov , Shengjun Yuan , A. Fasolino , M. I. Katsnelson

Few-layer graphene deposited on semiconductor nanorods separated by undoped spacers has been studied in perspective for the fabrication of stable nanoresonators. We show that an applied bias between the graphene layer and the nanorod…

Nanoscale materials display enhanced strength and toughness but also larger fluctuations and more pronounced size effects with respect to their macroscopic counterparts. Here we study the system size-dependence of the failure strength…

Mesoscale and Nanoscale Physics · Physics 2015-08-25 Alessandro Luigi Sellerio , Alessandro Taloni , Stefano Zapperi

We present electronic transport measurements on etched graphene nanoribbons on silicon dioxide before and after a short hydrouoric acid (HF) treatment. We report on changes in the transport properties, in particular, in terms of a…

Mesoscale and Nanoscale Physics · Physics 2014-04-15 Jan Dauber , Bernat Terrés , Christian Volk , Stefan Trellenkamp , Christoph Stampfer

In this paper, we develop a theory of edge effects in graphene for its applications to nanoantennas in the terahertz, infrared, and visible frequency ranges. Its characteristic feature is selfconsistence reached due the formulation in terms…

Mesoscale and Nanoscale Physics · Physics 2023-05-26 Tomer Berghaus , Touvia Miloh , Oded Gottlieb , Gregory Slepyan

We investigate electronic transport property of a graphene monolayer covered by a graphene nanoribbon. We demonstrate that electronic transmission of a monolayer can be reduced when covered by a nanoribbon. The transmission reduction occurs…

Materials Science · Physics 2013-10-23 Daniel Valencia , Jun-Qiang Lu , Jian Wu , Feng Liu , Feng Zhai , Yong-Jin Jiang

We present electronic and transport properties of a zigzag nanoribbon made of alpha-$\mathcal{T}_3$ lattice. Our particular focus is on the effects of the continous evolution of the edge modes ( from flat to dispersive) on the…

Mesoscale and Nanoscale Physics · Physics 2019-09-09 Mir Waqas Alam , Basma Souayeh , SK Firoz Islam

In this Letter, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed…

Mesoscale and Nanoscale Physics · Physics 2016-10-11 Deepika , T. J. Dhilip Kumar , Alok Shukla , Rakesh Kumar