Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen passivation). The results of atomistic simulations are interpreted using a theoretical model of thermodynamics, which enables determination of the nonlinear f...

The established chemical synthetic strategy toward graphene nanoribbons has greatly prompted and justified the research of theoretical designs of novel materials based on graphene. In this paper, we report the novel half-metallicity in C and BN hybrid zigzag nanoribbons even though stand-alone C or BN nanoribbon possesses a finite band gap. By performing first-principles electronic-structure ca...

Qiang Lu and Rui Huang Department of Aerospace Engineering and Engineering Mechanics, University of Texas, Austin, Texas 78712, USA ABSTRACT Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen passivation). T...

AIM The systemic administration of graphene nanoribbons for a variety of in vivo biomedical applications will result in their interaction with cellular and protein components of the circulatory system. The aim of this study was to assess the in vitro effects of graphene nanoribbons (O-GNR) noncovalently functionalized with PEG-DSPE (1, 2-distearoyl-sn-glycero-3-phosphoethanolamine-N [amino (pol...

Submitted for the MAR08 Meeting of The American Physical Society Imaging massless Dirac fermion flow in graphene nanoribbons LIVIU P. ZÂRBO, Texas A&M University, BRANISLAV K. NIKOLIĆ, University of Delaware — Since its recent experimental discovery, graphene has been the focus of intense theoretical and experimental research. Its unconventional electronic structure characterized by the linear ...

A theory of electron states for graphene nanoribbons with a smoothly varying width is developed. It is demonstrated that the standard adiabatic approximation allowing to neglect the mixing of different standing waves is more restrictive for the massless Dirac fermions in graphene than for the conventional electron gas. In general, one can expect a well-pronounced conductance quantization only f...

The original version of this Article contained a typographical error in the spelling of the author Tahir Çag ˘ın which was incorrectly given as Tahir Çaın. This has now been corrected in the Article.

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The stacking-dependent electronic structure and transport properties of bilayer graphene nanoribbons suspended between gold electrodes are investigated using density functional theory coupled with non-equilibrium Green’s functional method. We find substantially enhanced electron transmission as well as tunneling currents in the AA stacking of bilayer nanoribbons compared to either single-layer ...