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We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory…

材料科学 · 物理学 2020-12-25 Sergio Bravo , J. D. Correa , Leonor Chico , M. Pacheco

Carbon-based nanostructures and graphene, in particular, evoke a lot of interest as new promising materials for nanoelectronics and spintronics. One of the most important issue in this context is the impact of external electrodes on…

介观与纳米尺度物理 · 物理学 2012-03-16 S. Krompiewski

Bilayer graphene nanoribbon with zigzag edge is investigated with the tight binding model. Two stacking structures, alpha and beta, are considered. The band splitting is seen in the alpha structure, while the splitting in the wave number…

介观与纳米尺度物理 · 物理学 2012-11-21 Kikuo Harigaya , Hiroshi Imamura , Katsunori Wakabayashi , Osman Ozsoy

Two-dimensional (2D) materials for their versatile band structures and strictly 2D nature have attracted considerable attention over the past decade. Graphene is a robust material for spintronics owing to its weak spin-orbit and hyperfine…

介观与纳米尺度物理 · 物理学 2017-01-30 Kuei-Lin Chiu , Yang Xu

We investigate the optical properties of edge-functionalized graphene nanosystems, focusing on the formation of junctions and charge transfer excitons. We consider a class of graphene structures which combine the main electronic features of…

材料科学 · 物理学 2011-05-18 Caterina Cocchi , Deborah Prezzi , Alice Ruini , Marilia J. Caldas , Elisa Molinari

A simple one-stage solution-based method was developed to produce graphene nanoribbons by sonicating graphite powder in organic solutions with polymer surfactant. The graphene nanoribbons were deposited on silicon substrate, and…

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…

材料科学 · 物理学 2007-12-04 Oded Hod , Juan E. Peralta , Gustavo E. Scuseria

We used the binding energy-bond-charge model to study the atomic bonding and electrical properties of the two-dimensional graphene/BN van der Waals heterostructure. We manipulated its atomic bonding and electrical properties by…

材料科学 · 物理学 2022-03-14 Jiannan Wang , Liangjing Ge , Anlin Deng , Hongrong Qiu , Hanze Li , Yunhu Zhu , Maolin Bo

The adsorption of an adenine molecule on graphene is studied using a first-principles van der Waals functional (vdW-DF) [Dion et al., Phys. Rev. Lett. 92, 246401 (2004)]. The cohesive energy of an ordered adenine overlayer is also…

Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are…

介观与纳米尺度物理 · 物理学 2014-08-19 Elton J. G. Santos

We investigate the transmission of electrons between conducting nanoribbon leads oriented at multiples of 60 degrees with respect to one another, connected either directly or through graphene polygons. A mode-matching analysis suggests that…

介观与纳米尺度物理 · 物理学 2009-11-13 A. Iyengar , T. Luo , H. A. Fertig , L. Brey

Coupled hybrid nanostructures are demonstrated using the combination of lithographically patterned graphene on top of a two-dimensional electron gas (2DEG) buried in a GaAs/AlGaAs heterostructure. The graphene forms Schottky barriers at the…

It is now possible to produce graphene nanoribbons (GNRs) with atomically defined widths. GNRs offer many opportunities for electronic devices and composites, if it is possible to establish the link between edge structure and…

Graphene-based nanostructured systems and van-der-Waals heterostructures comprise a material class of growing technological and scientific importance. Joining materials with vastly different properties, polymer-graphene heterosystems…

The honeycomb carbon structure of graphene and nanotubes has a dynamics which can give rise to a spectrum. This can be excited via the interaction with an external electromagnetic field. In this work, non-linear waves on graphene and…

介观与纳米尺度物理 · 物理学 2013-02-18 C. E. Cordeiro , A. Delfino , T. Frederico , O. Oliveira , W. de Paula

Graphene is an emerging class of two-dimensional (2D) material with unique electrical properties and a wide range of potential practical applications. In addition, graphene hybrid structures combined with other 2D materials, metal…

An application of quantum size carbon structures--graphenes as electrodes of supercapacitors is studied. A fundamental limit of energy and power density arising from quantum nature of objects due to singularity in graphene density of states…

We show that the usual sum of $R^{-6}$ contributions from elements separated by distance $R$ can give \emph{qualitatively} wrong results for the electromagnetically non-retarded van der Waals interaction between non-overlapping bodies. This…

软凝聚态物质 · 物理学 2009-11-11 John F. Dobson , Angela White , Angel Rubio

We investigated the vibrational properties of graphene nanoribbons by means of first-principles calculations on the basis of density functional theory. We confirm that the phonon modes of graphene nanoribbons with armchair and zigzag type…

材料科学 · 物理学 2015-05-13 Roland Gillen , Marcel Mohr , Janina Maultzsch , Christian Thomsen

Graphene nanoribbons and constrictions are envisaged as fundamental components of future carbon-based nanoelectronic and spintronic devices. At nanoscale, electronic effects in these devices depend heavily on the dimensions of the active…