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As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…

Mesoscale and Nanoscale Physics · Physics 2016-06-07 Viet Hung Nguyen , Trinh Xuan Hoang , Philippe Dollfus , Jean-Christophe Charlier

Most materials in available macroscopic quantities are polycrystalline. Graphene, a recently discovered two-dimensional form of carbon with strong potential for replacing silicon in future electronics, is no exception. There is growing…

Mesoscale and Nanoscale Physics · Physics 2010-09-28 Oleg V. Yazyev , Steven G. Louie

We perform a MonteCarlo simulation in order to study the connection between the morphology and the transport properties of grain boundaries (GBs) in graphene. We explore the configurational space of GBs to generate ensembles of realistic…

Mesoscale and Nanoscale Physics · Physics 2021-07-15 Fernando Gargiulo

We have revealed the decisive role of grain-boundary-induced strain fields in electron scattering in polycrystalline graphene. To this end, we have formulated the model based on Boltzmann transport theory which properly takes into account…

Materials Science · Physics 2022-05-24 S. E. Krasavin , V. A. Osipov

Strain engineering has been recently recognized as an effective way to tailor the electrical properties of graphene. In the optical domain, effects such as strain-induced anisotropic absorption add an appealing functionality to graphene,…

Mesoscale and Nanoscale Physics · Physics 2013-12-31 Guang-Xin Ni , Hong-Zhi Yang , Wei Ji , Seung-Jae Baeck , Chee-Tat Toh , Jong-Hyun Ahn , Vitor M. Pereira , Barbaros Özyilmaz

Grain boundaries play a major role for electron transport in graphene sheets grown by chemical vapor deposition. Here we investigate the electronic structure and transport properties of idealized graphene grain boundaries (GBs) in…

Mesoscale and Nanoscale Physics · Physics 2024-03-19 Aleksander Bach Lorentzen , Fei Gao , Peter Bøggild , Antti-Pekka Jauho , Mads Brandbyge

The effect of grain boundary (GB) structure, size and shape on thermal conductivity of polycrystalline graphene is studied in the framework of the deformation potential approach. Precise analytical expressions for the phonon mean free path…

Materials Science · Physics 2019-03-25 S. E. Krasavin , V. A. Osipov

Lacking a band gap largely limits the application of graphene in electronic devices. Previous study shows that grain boundaries (GBs) in polycrystalline graphene can dramatically alter the electrical properties of graphene. Here, we…

Materials Science · Physics 2013-01-11 Jiangtao Wu , Xinghua Shi , Yujie Wei

Grain boundaries (GB) profoundly influence the electrical properties of polycrystalline ionic solids. Yet, precise control of their transport characteristics has remained elusive, thereby limiting the performance of solid-state…

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

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

We reveal that phononic thermal transport in graphene is not immune to grain boundaries (GBs) aligned along the direction of the temperature gradient. Non-equilibrium molecular dynamics simulations uncover a large reduction in the phononic…

Mesoscale and Nanoscale Physics · Physics 2021-04-12 Zhen Tong , Alessandro Pecchia , ChiYung Yam , Traian Dumitricǎ , Thomas Frauenheim

Grain boundaries (GBs), an important constituent of polycrystalline materials, have a wide range of manifestion and significantly affect the properties of materials. Fully understanding the effects of GBs is stalemated due to lack of…

Materials Science · Physics 2021-03-19 Cheng-yan Liu , Zhi-ming Li , Xin-gao Gong

Grain boundaries (GBs) strongly influence thermal transport in crystalline solids by disrupting lattice periodicity and scattering phonons. Due to the atomic-level disorder and structural complexity, a fundamental understanding of how…

Graphene has attracted significant interest both for exploring fundamental science and for a wide range of technological applications. Chemical vapor deposition (CVD) is currently the only working approach to grow graphene at wafer scale,…

Electronic, transport, and spin properties of grain boundaries (GBs) are investigated in electrostatically doped graphene at finite electron densities within the Hartree and Hubbard approximations. We demonstrate that depending on the…

Mesoscale and Nanoscale Physics · Physics 2013-09-03 S. Ihnatsenka , I. V. Zozoulenko

We investigate the influence of grain boundaries (GBs), line defects (LDs), and chirality on thermal transport in graphene using non-equilibrium Green's functions. At room temperature the ballistic thermal conductance is ~4.2 GW/m^2/K, and…

Materials Science · Physics 2013-02-22 Andrey Y. Serov , Zhun-Yong Ong , Eric Pop

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

The evolution of electronic wave packets (WPs) through grain boundaries (GBs) of various structures in graphene was investigated by the numerical solution of the time-dependent Schroedinger equation. WPs were injected from a simulated STM…

Mesoscale and Nanoscale Physics · Physics 2013-08-12 Péter Vancsó , Géza I. Márk , Philippe Lambin , Alexandre Mayer , Yong-Sung Kim , Chanyong Hwang , László P. Biró

Recent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the electronic properties…

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