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Graphene nanoribbons exhibit band gap modulation when subjected to strain. While band gap creation has been theoretically investigated for uniaxial strains, other deformations such as nanoribbon twist have not been considered. Our main objective in this paper is to explore band gap opening in twisted graphene nanoribbons that have metallic properties under tight-binding approximation. While simple considerations based on the Hückel model allow to conclude that zigzag graphene nanoribbons exhibit no band gap when subjected to twist, the Hückel model overall may be inaccurate for band gap prediction in metallic nanoribbons. We utilize Density Functional Theory Tight-Binding Approximation together with a requirement that energy of twisted nanoribbons is minimized to evaluate band gap of metalic armchair nanoribbons. Besides considering twisting deformations, we also explore the possibility of creating band gap when graphene nanoribbons are subject to inhomogeneous deformation such as sinusoidal deformations.

Using nonequlilibrium Green's functions in combination with the density-functional theory, we investigate the spin transport properties of molecular junction based on metal (Cu, Fe) phthalocyanines between V-shaped zigzag-edged graphene nanorribons. The results show that the electronic transport properties mainly depend on the center transition metal. The negative differential resistance behaviors and spin splitting phenomenon can be observed.

The exciton effects in 1-nm-wide armchair graphene nanoribbons (AGNRs) under the uniaxial strain were studied within the nonorthogonal tight-binding (TB) model, supplemented by the long-range Coulomb interactions. The obtained results show that both the excitation energy and exciton binding energy are modulated by the uniaxial strain. The variation of these energies depends on the ribbon family. In addition, the results show that the variation of the exciton binding energy is much weaker than the variation of excitation energy. Our results provide new guidance for the design of optomechanical systems based on graphene nanoribbons.

By applying first-principles method based on density functional theory combined with nonequilibrium Green’s function, we investigate the effect of torsion angle on the electronic transport properties in dipyrimidinyl–diphenyl co-oligomer molecular device with tailoring graphene nanoribbon electrodes. The results show that the torsion angle plays an important role on the electronic transport properties of the molecular device. When the torsion angle rotates from 0${}^{\circ }$ to 90${}^{\circ }$, the molecular devices exhibit very different current–voltage characteristics which can realize the on and off states of the molecular switch.

To realize the application of spintronics, possible magnetism in graphene-based material is an important issue to be addressed. At the tight banding level of armchair graphene nanoribbons, there are two flat bands in the band structure, two Van Hove singularities in the density of states, and the introducing of the next-nearest-neighbor hopping term cause high asymmetry in them, which plays a key role in the behavior of magnetic correlation. We further our studies within determinant quantum Monte Carlo simulation to treat the electron–electron interaction. It is found that the armchair graphene nanoribbons show carrier mediated magnetic correlation. In the armchair graphene nanoribbons, the antiferromagnetic correlation dominates around half filling, while the ferromagnetic correlation dominates as electron filling is lower than 0.8. Moreover, the ferromagnetic correlation is strengthened markedly as the next-nearest-neighbor hopping energy increases. The resultant manipulation of ferromagnetism in graphene-based material may facilitate the development of spintronics.

We report the one step facile synthesis of graphene nanoribbons (GNRs) by unzipping carbon nanotubes (CNTs) from glucose (C₆H₁₂O₆) precursor, using a simple chemical vapor deposition method. Some nanotubes are partially cut resulting in a GNR–CNT hybrid whereas others are fully cut to form GNRs. The average length of GNRs achieved by this method is typically in the range of 1–10 μm. The formation of GNRs is ascribed to the in situ oxygen-driven unzipping of CNTs. The process is free from aggressive oxidants and utilizes the in situ unzipping. This method offers an alternative approach for making GNRs, compared to previously used techniques to synthesize GNRs.

Multiwalled carbon nanotubes (MWCNTs) were chemically split and self-assembled to a flexible porous paper made of graphene oxide nanoribbons (GONRs). The morphology and microstructure of the pristine MWCNTs and GONRs were analyzed by transmission electron microscopy, scanning electron microscopy, X-ray diffraction, Raman spectroscopy and Fourier transform infrared spectroscopy. And the specific surface area and porosity structure were measured by N₂ adsorption-desorption. The longitudinally split MWCNTs show an enhancement in specific capacitance from 21 F g^-1 to 156 F g^-1 compared with the pristine counterpart at 0.1 A g^-1 in a 6 M KOH aqueous electrolytes. The electrochemical experiments prove that the chemical splitting of MWCNTs will make inner carbon layers opened and exposed to electrochemical double layers, which can effectively improve the electrochemical capacitance for supercapacitors.

Graphene nanoribbons exhibit band gap modulation when subjected to strain. While band gap creation has been theoretically investigated for uniaxial strains, other deformations such as nanoribbon twist have not been considered. Our main objective in this paper is to explore band gap opening in twisted graphene nanoribbons that have metallic properties under tight-binding approximation. While simple considerations based on the Hückel model allow to conclude that zigzag graphene nanoribbons exhibit no band gap when subjected to twist, the Hückel model overall may be inaccurate for band gap prediction in metallic nanoribbons. We utilize Density Functional Theory Tight-Binding Approximation together with a requirement that energy of twisted nanoribbons is minimized to evaluate band gap of metalic armchair nanoribbons. Besides considering twisting deformations, we also explore the possibility of creating band gap when graphene nanoribbons are subject to inhomogeneous deformation such as sinusoidal deformations.