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Two-dimensional (2D) materials have attracted significant interest due to their tunable physical properties when stacked into homo- and hetero-structures. Twisting adjacent layers introduces moir\'{e} patterns that strongly influence the…

To address the robustness of the transport gap induced by locally strained regions in graphene nanostructures, the effect of disorder and smoothness of the interface region is investigated within the Landauer-B\"uttiker formalism. The…

Mesoscale and Nanoscale Physics · Physics 2013-11-26 D. A. Bahamon , Vitor M. Pereira

Microscopic corrugations are ubiquitous in graphene even when placed on atomically flat substrates. These result in random local strain fluctuations limiting the carrier mobility of high quality hBN-supported graphene devices. We present…

The transmission properties of armchair graphene nanoribbon junctions between graphene electrodes are investigated by means of first-principles quantum transport calculations. First the dependence of the transmission function on the size of…

Mesoscale and Nanoscale Physics · Physics 2023-07-19 C. Motta , D. Sánchez-Portal , M. I. Trioni

In this work we present a theoretical study of transport properties of a double crossbar junction composed by segments of graphene ribbons with different widths forming a graphene quantum dot structure. The systems are described by a…

Mesoscale and Nanoscale Physics · Physics 2011-04-29 Jhon W. Gonzalez , Monica Pacheco , Luis Rosales , Pedro Orellana

We induced periodic biaxial tensile strain in polycrystalline graphene by wrapping it over a substrate with repeating pillar-like structures with a periodicity of 600 nm. Using Raman spectroscopy, we determined to have introduced biaxial…

Materials Science · Physics 2015-11-09 Marjan Aslani , C. Michael Garner , Suhas Kumar , Dennis Nordlund , Piero Pianetta , Yoshio Nishi

Electronic properties of bilayer graphene are distinct from both the conventional two dimensional electron gas and monolayer graphene due to its particular chiral properties and excitation charge carrier dispersions. We study the effect of…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Habib Rostami , Reza Asgari

We report, based on its variation in electronic transport to coupled tension and shear deformation, a highly sensitive graphene-based strain sensor consisting of an armchair graphene nanoribbon (AGNR) between metallic contacts. As the…

Mesoscale and Nanoscale Physics · Physics 2015-08-28 Zenan Qi , Jian Zhang , Guiping Zhang , Harold S. Park

Recently, the strain engineering of two-dimensional materials such as graphene has attracted considerable attention for its great potential in functional nanodevices. Here, we theoretically and experimentally investigate the strain…

Optics · Physics 2015-11-03 Fei Xu , Jin-hui Chen , Yan-qing Lu

We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…

Mesoscale and Nanoscale Physics · Physics 2025-02-06 Gaëlle Bigeard , Zineb Kerrami , François Triozon , Alessandro Cresti

We determine the band structure of graphene under strain using density functional calculations. The ab-initio band strucure is then used to extract the best fit to the tight-binding hopping parameters used in a recent microscopic model of…

Mesoscale and Nanoscale Physics · Physics 2009-11-08 R. M. Ribeiro , Vitor M. Pereira , N. M. R. Peres , P. R. Briddon , A. H. Castro Neto

We present numerical studies of conduction in graphene nanoribbons with reconstructed edges based on the standard tight-binding model of the graphene and the extended Huckel model of the reconstructed defects. We performed atomic geometry…

Mesoscale and Nanoscale Physics · Physics 2016-06-29 S. Ihnatsenka , G. Kirczenow

We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects…

Materials Science · Physics 2009-09-08 Giovanni Cantele , Young-Su Lee , Domenico Ninno , Nicola Marzari

The fast electron transport and superior multidirectional flexibility of three-dimensional graphene-based foams (GFs) are pivotal in the realm of stretchable electronics. We observed pre-stretching induced modulation of the…

Materials Science · Physics 2024-11-27 Shu-Ting Guo , Fangxin Zou

We investigate charge transport in pentacene-graphene nanojunctions employing density functional theory (DFT) electronic structure calculations and the Landauer transport formalism. The results show that the unique electronic properties of…

Mesoscale and Nanoscale Physics · Physics 2013-02-26 Ivan A. Pshenichnyuk , Pedro B. Coto , Susanne Leitherer , Michael Thoss

Anisotropic electronic transport is a possible route towards nanoscale circuitry design, particularly in two-dimensional materials. Proposals to introduce such a feature in patterned graphene have to date relied on large-scale structural…

Mesoscale and Nanoscale Physics · Physics 2018-12-07 Soren Schou Gregersen , Jose H. Garcia , Antti-Pekka Jauho , Stephan Roche , Stephen R. Power

The flexoelectric and electronic properties of zig-zag graphene nanoribbons are explored under mechanical bending using state of the art first principles calculations. A linear dependence of the bending induced out of plane polarization on…

Materials Science · Physics 2021-06-03 Tribhuwan Pandey , Lucian Covaci , Francois M. Peeters

Strain engineering is a promising approach for suppressing the OFF-state conductance in graphene-based devices that arises from Klein tunnelling. In this work, we derive a comprehensive tight-binding Hamiltonian for strained graphene that…

Mesoscale and Nanoscale Physics · Physics 2021-08-25 Maverick Chauwin , Zhuo Bin Siu , Mansoor Bin Abdul Jalil

Engineered substrates offer a promising avenue towards graphene devices having tunable properties. In particular, topographically patterned substrates can expose unique behavior due to their ability to induce local variations in strain and…

Mesoscale and Nanoscale Physics · Physics 2018-05-23 J. Henry Hinnefeld , Nadya Mason

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…