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We investigate transport properties of the junctions in which the graphene nanoribbon with the zigzag shaped edges consisting of the $N$ legs is sandwiched by the two normal metals by means of recursive Green's function method. The…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Yoneko Mochizuki , Hideo Yoshioka

Graphene nanoribbons (GNRs) are ultra-narrow strips of graphene that have the potential to be used in high-performance graphene-based semiconductor electronics. However, controlled growth of GNRs on dielectric substrates remains a…

Transport and thermoelectric properties of finite textured graphene nanoribbons (t-GNRs) connected to electrodes with various coupling strengths are theoretically studied in the framework of the tight-binding model and Green's function…

Mesoscale and Nanoscale Physics · Physics 2022-09-27 David M T Kuo , Yia-Chung Chang

Graphene nanoribbons (GNRs), low-dimensional platforms for carbon-based electronics, show the promising perspective to also incorporate spin polarization in their conjugated electron system. However, magnetism in GNRs is generally…

High quality graphene nanoribbons (GNRs) grown by on-surface synthesis strategies with atomic precision can be controllably doped by inserting heteroatoms or chemical groups in the molecular precursors. Here, we study the electronic…

Graphene nanoribbons (GNRs) have recently been shown by Cao, Zhao, and Louie [Cao, T.; Zhao, F.; Louie, S. G. Phys. Rev. Lett. 2017, 119, 076401] to possess distinct topological phases in general, characterized by a Z2 invariant. Cove-edged…

Materials Science · Physics 2018-10-15 Yea-Lee Lee , Fangzhou Zhao , Ting Cao , Jisoon Ihm , Steven G. Louie

The unique ultra-relativistic, massless, nature of electron states in two-dimensional extended graphene sheets, brought about by the honeycomb lattice arrangement of carbon atoms in two-dimensions, provides ingress to explorations of…

Mesoscale and Nanoscale Physics · Physics 2015-02-18 Constantine Yannouleas , Igor Romanovsky , Uzi Landman

Tunneling field-effect transistors (FETs) have been intensely explored recently due to its potential to address power concerns in nanoelectronics. The recently discovered graphene nanoribbon (GNR) is ideal for tunneling FETs due to its…

Materials Science · Physics 2009-09-30 Pei Zhao , Jyotsna Chauhan , Jing Guo

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

Along with the inherent remarkable properties of graphene, adatom-intercalated graphene-related systems are expected to exhibit tunable electronic properties. The metal-based atoms could provide multi-orbital hybridizations with the…

Computational Physics · Physics 2023-07-26 Thi My Duyen Huynh , Guo-Song Hung , Godfreys Gumbs , Ngoc Thanh Thuy Tran

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 extensively characterize the electronic structure of ultra-narrow graphene nanoribbons (GNRs) with armchair edges and zig-zag termini that have 5 carbon atoms across their width (5-AGNRs), as synthesised on Au(111). Scanning tunnelling…

We perform density functional calculations on one-dimensional zigzag edge graphene nano-ribbons (ZGNRs) of different widths, with and without edge doping including semi-local exchange-correlations. Our study reveals that, although the…

Materials Science · Physics 2008-06-13 Sudipta Dutta , Swapan K. Pati

Graphene nanoribbons (GNRs) are promising two-dimensional materials with various technological applications, in particular for the armchair GNR families that have a semiconductor character. Recently, methods that allowed for the control of…

If a device like a graphene nanoribbon (GNR) has all its four corners attached to electric current leads, the device becomes a quantum junction through which two electrical circuits can interact. We study such system theoretically for…

Mesoscale and Nanoscale Physics · Physics 2017-12-21 Martin Konôpka , Peter Dieška

The thermoelectric properties of hybrid graphene-boron nitride nanoribbons (BCNNRs) are investigated using the non-equilibrium Green's function (NEGF) approach. We find that the thermoelectric figure of merit (ZT) can be remarkably enhanced…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Kaike Yang , Yuanping Chen , Roberto D'Agosta , Yuee Xie , Jianxin Zhong , Angel Rubio

We study the transport property for armchair-edge graphene nanoribbons (AGNRs) with an adatom coupling to a semi-infinite quantum wire. Using the nonequilibrium Green's function approach with tight-binding approximation, we demonstrate that…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 Xiongwen Chen , Kehui Song , Benhu Zhou , Haiyan Wang , Guanghui Zhou

We performed a series of theoretical transport studies on Y-branch electron waveguides which are embedded in mid-size armchair graphene nanoribbons (AGNRs). Non-equilibrium Greens function (NEGF) with different approximations of…

Mesoscale and Nanoscale Physics · Physics 2018-11-14 Vahid Mosallanejad , Kuei-Lin Chiu , Guo-ping Guo

We present the first principle calculations of the electrical properties of graphene sheet/h-BN heterojunction(GS/h-BN) and 11-armchair graphene nanoribbon heterojunction(11-AGNR/h-BN), which were carried out using the density functional…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Taiga Wakai , Shoichi Sakamoto , Mitsuyoshi Tomiya

In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking…

Materials Science · Physics 2013-11-26 Yongping Zheng , Lanqing Xu , Zheyong Fan , Ning Wei , Zhigao Huang