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The geometric, electronic and magnetic properties of strained graphene nanoribbons were investigated using spin polarized calculations within the framework of density functional theory. Cases of compressive stress along the longer axis of a…

Mesoscale and Nanoscale Physics · Physics 2020-06-10 Sandeep Kaur , Hitesh Sharma , V. K. Jindal , Vladimir Bubanja , Isha Mudahar

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

Negative differential thermal resistance (NDTR) in approximate graphene nanoribbons (GNRs) is investigated from one dimension to three dimensions by using classical molecular dynamics method. For single-layer GNRs, NDTR can not be observed…

Mesoscale and Nanoscale Physics · Physics 2014-07-29 Bao-quan Ai , Wei-rong Zhong , Bambi Hu

When randomly displacing the nodes of a crystalline and unstressed spring network, we find that the Possion's ratio decreases with the increase of structural disorder and even becomes negative. Employing our finding that longer springs tend…

Soft Condensed Matter · Physics 2019-05-29 Jun Liu , Yunhuan Nie , Hua Tong , Ning Xu

We design two-dimensional (2D) mechanical metamaterials that may be deformed substantially at little or no energy cost. Examples of such deformable structures are assemblies of rigid isosceles triangles hinged in their corners on the…

Mesoscale and Nanoscale Physics · Physics 2018-12-21 Zhibin Gao , Dan Liu , David Tomanek

Using self-consistent calculations based on Non-Equilibrium Green's Function (NEGF) formalism, the origin of negative differential resistance (NDR) in molecular junctions and quantum wires is investigated. Coupling of the molecule to…

Mesoscale and Nanoscale Physics · Physics 2008-08-21 Hosein Cheraghchi , Keivan Esfarjani

Resonance diffraction in the periodic array of graphene micro-ribbons is theoretically studied following a recent experiment [L. Ju et al, Nature Nanotech. 6, 630 (2011)]. Systematic studies over a wide range of parameters are presented. It…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 A. Yu. Nikitin , F. Guinea , F. J. Garcia-Vidal , L. Martin-Moreno

The Hydrogen and Fluorine planar armchairs graphene nanoribbons (H and F AGNRs), subjected to twist deformation within fixed periodic boundary conditions, eventually morph to a helical conformations are investigated at few tractable points.…

Materials Science · Physics 2019-09-13 Rajesh Thakur , P. K. Ahluwalia , Ashok Kumar , Munish Sharma , Raman Sharma

The conductance of metallic graphene nanoribbons (GNRs) with single defects and weak disorder at their edges is investigated in a tight-binding model. We find that a single edge defect will induce quasi-localized states and consequently…

Mesoscale and Nanoscale Physics · Physics 2008-02-07 T. C. Li , Shao-Ping Lu

First principles density-functional theory calculations were performed to study the effects of strain, edge passivation, and surface functional species on the structural and electronic properties of armchair graphene nanoribbons (AGNRs)…

Materials Science · Physics 2012-08-07 Xihong Peng , Fu Tang , Andrew Copple

We have performed a first-principles study on the deformation effect of the electronic structures of graphite nanoribbon arrays with zigzag edges on both sides, and the edge atoms are terminated with hydrogen atoms. A uniaxial strain is…

Materials Science · Physics 2008-10-28 W. S. Su , B. R. Wu , T. C. Leung

Lateral heterostructures of two-dimensional materials may exhibit various intriguing emergent properties. Yet when specified to the orientationally aligned heterojunctions of zigzag graphene and hexagonal boron nitride (hBN) nanoribbons,…

Mesoscale and Nanoscale Physics · Physics 2015-09-22 Jiang Zeng , Wei Chen , Ping Cui , Dong-Bo Zhang , Zhenyu Zhang

In recent years, new flexible functional materials have attracted increasing interest, but there is a lack of the designing mechanisms of flexibility design with superstructures. In traditional engineering mechanics, the maximum bending…

Soft Condensed Matter · Physics 2023-09-06 Yang Li , Le Zhang , Dehua Wang , Limei Hou , Shanmei Du , Yang Deng , Yanfeng Du , Yingfei Xin , Chongyang Fu , Yan Gu , Xiaoxiong Wang

Nanometer-scale graphene objects are attracting much research interest because of newly emerging properties originating from quantum confinement effects. We present Raman spectroscopy studies of graphene nanoribbons (GNRs) which are known…

Materials Science · Physics 2012-01-23 Sunmin Ryu , Janina Maultzsch , Melinda Y. Han , Philip Kim , Louis E. Brus

We have fabricated graphene nano-ribbon field-effect transistor devices and investigated their electrical properties as a function of ribbon width. Our experiments show that the resistivity of a ribbon increases as its width decreases,…

Materials Science · Physics 2007-12-17 Zhihong Chen , Yu-Ming Lin , Michael J. Rooks , Phaedon Avouris

Intrinsic bilayer graphene is a gapless semimetal. Under the application of a bias field it becomes a semiconductor with a direct band gap that is proportional to the applied field. Under a layer-asymmetric strain (where the upper layer…

Mesoscale and Nanoscale Physics · Physics 2014-12-04 J. A. Crosse

The interaction between a graphene layer and a hexagonal Boron Nitride (hBN) substrate induces lateral displacements and strains in the graphene layer. The displacements lead to the appearance of commensurate regions and the existence of an…

Mesoscale and Nanoscale Physics · Physics 2014-09-05 Pablo San-Jose , Ángel Gutiérrez , Mauricio Sturla , Francisco Guinea

In this work we have investigated the mechanical properties and fracture patterns of some graphene nanowiggles (GNWs). Graphene nanoribbons are finite graphene segments with a large aspect ratio, while GNWs are nonaligned periodic…

Mesoscale and Nanoscale Physics · Physics 2019-06-05 R. A. Bizao , T. Botari , D. S. Galvao

Single layer graphene simply-supported on a polymer substrate was subjected to axial compression and its behavior upon loading was monitored with laser Raman spectroscopy (LRS). The graphene was found to fail by wrinkling (buckling) at a…

Auxetic materials are characterized by a negative Poisson's ratio, $\mathrm{\nu}$. As the Poisson's ratio becomes negative and approaches the lower isotropic mechanical limit of $\mathrm{\nu = -1}$, materials show enhanced resistance to…

Soft Condensed Matter · Physics 2023-11-08 Daniel R. Reid , Nidhi Pashine , Alec S. Bowen , Sidney R. Nagel , Juan J. de Pablo