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Thin adhesive films can be removed from substrates, torn, and folded in distinct geometries under external driving forces. In two-dimensional materials, however, these processes can be self-driven as shown in previous studies on folded…

Mesoscale and Nanoscale Physics · Physics 2019-07-15 Johannes C. Rode , Dawei Zhai , Christopher Belke , Sung J. Hong , Hennrik Schmidt , Nancy Sandler , Rolf J. Haug

We investigate bilayers of nanoporous graphene (NPG), laterally bonded carbon nanoribbons, and graphene. The electronic and transport properties are explored as a function of the interlayer twist angle using an atomistic tight-binding model…

Mesoscale and Nanoscale Physics · Physics 2024-08-12 Xabier Diaz de Cerio , Aleksander Bach Lorentzen , Mads Brandbyge , Aran Garcia-Lekue

In this work, we perform ab initio calculations, based on the density functional theory, of the effects on the graphene bilayer when we intercalate carbon atoms between the layers. We use the unit cell of the bilayer to construct larger…

Mesoscale and Nanoscale Physics · Physics 2020-01-31 A. K. M. Pinto , N. F. Frazão , D. L. Azevedo , F. Moraes

Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…

Graphene-based materials have been suggested for applications ranging from nanoelectronics to nanobiotechnology. However, the realization of graphene-based technologies will require large quantities of free-standing two-dimensional (2D)…

We investigate the electronic transport properties of a bilayer graphene flake contacted by two monolayer nanoribbons. Such a finite-size bilayer flake can be built by overlapping two semiinfinite ribbons or by depositing a monolayer flake…

Mesoscale and Nanoscale Physics · Physics 2010-09-23 J. W. Gonzalez , H. Santos , M. Pacheco , L. Chico , L. Brey

Carbon nanosheets are mechanically stable free-standing two-dimensional materials with a thickness of ~1 nm and well defined physical and chemical properties. They are made by radiation induced cross-linking of aromatic self-assembled…

Mesoscale and Nanoscale Physics · Physics 2011-05-31 Christoph T. Nottbohm , Andrey Turchanin , Andre Beyer , Rainer Stosch , Armin Golzhauser

We report on the fabrication and measurement of nanoscale devices based on bilayer graphene sandwiched between hexagonal boron nitride bottom and top gate dielectrics. The top gates are patterned such that constrictions and islands can be…

Mesoscale and Nanoscale Physics · Physics 2013-04-10 Augustinus , M. Goossens , Stefanie C. M. Driessen , Tim A. Baart , Kenji Watanabe , Takashi Taniguchi , Lieven M. K. Vandersypen

We determine, by means of density functional theory, the stability and the structure of graphene nanoribbon (GNR) edges in presence of molecules such as oxygen, water, ammonia, and carbon dioxide. As in the case of hydrogen-terminated…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Ari P. Seitsonen , A. Marco Saitta , Tobias Wassmann , Michele Lazzeri , Francesco Mauri

We propose a model for nanoscale supercapacitor consisting of two-dimensional insulating BN layers placed between two commensurate and metallic graphene layers. First-principles Density Functional calculations of structure optimized total…

Mesoscale and Nanoscale Physics · Physics 2013-03-05 V. Ongun Özçelik , C. Ataca , S. Ciraci

Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…

Materials Science · Physics 2022-08-02 M. L. Pereira Júnior , L. A. Ribeiro Júnior , D. S. Galvão , J. M. De Sousa

We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $sp^2/sp^3$ bonding character may be viewed as…

Materials Science · Physics 2015-06-11 Zhen Zhu , David Tománek

Free-standing carbon nanomembranes (CNM) with molecular thickness and macroscopic size are fascinating objects both for fundamental reasons and for applications in nanotechnology. Although being made from simple and identical precursors…

Materials Science · Physics 2014-09-17 A. Mrugalla , J. Schnack

In this article, based on first-principles calculations, we systematically study functionalization induced diamonization of graphene bilayer and graphene-BN hybrid bilayer. With single-side functionalization, the diamondized structures are…

Materials Science · Physics 2011-12-22 Long Yuan , Zhenyu Li , Jinlong Yang , Jian Guo Hou

We study analytically, based on the tight-binding model, the electronic band structure of armchair AA-stacked bilayer graphene nanoribbons (BLGNRs) in several regimes. We apply hard-wall boundary conditions to determine the discretion…

Mesoscale and Nanoscale Physics · Physics 2015-02-10 Yawar Mohammadi , Borhan Arghavani Nia

By using of the first-principles calculations based on density functional theory, a novel monolayer planar structure named C64-graphyne is predicted. Tetratomic and hexatomic rings, as well as C-C triple bonds exist in this new stable…

Materials Science · Physics 2018-08-02 Hui Li , Zihua Xin , Junxian Liu , Jiali Wu , M. Yu

The structural similarity between hexagonal boron nitride (h-BN) and graphene nanoribbons allows for the formation of heterojunctions with small chain stress. The combination of the insulation nature of the former and the quasi-metallic…

Graphynes and graphdiynes are generic names for families of two-dimensional carbon allotropes, where acetylenic groups connect benzenoid-like hexagonal rings, with the co-existence of sp and sp2 hybridized carbon atoms. The main differences…

Mesoscale and Nanoscale Physics · Physics 2018-03-02 Daniel Solis , Daiane D. Borges , Cristiano F. Woellner , Douglas S. Galvao

A family of unusually stable boron cages was identified and examined using first-principles local density functional method. The structure of the fullerenes is similar to that of the B12 icosahedron and consists of six crossing…

Materials Science · Physics 2021-09-21 Nevill Gonzalez Szwacki

The use of colloidal supported lipid bilayers (CSLBs) has recently been extended to create colloidal joints, that - in analogy to their macroscopic counterparts - can flexibly connect colloidal particles. These novel elements enable the…

Soft Condensed Matter · Physics 2018-12-20 Melissa Rinaldin , Ruben W. Verweij , Indrani Chakraborty , Daniela J. Kraft