Zigzag-Shaped Superlattices on the Basis of Graphene Nanoribbons: Structure and Electronic Properties

Saroka, V. A.; Батраков, К. Г.

doi:10.1007/s11182-016-0816-6

Cited by 17 publications

(15 citation statements)

References 28 publications

(28 reference statements)

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“…However, there is no conventional notation for them yet; they could be described as in Refs. [24][25][26][27][28][29][30]. In what follows, we focus only on achiral ribbons with straight edges, and hence stick to the most common notation; we make slight amendments to incorporate the features of finite length structures.…”

Section: Structural Modelmentioning

confidence: 99%

Hidden correlation between absorption peaks in achiral carbon nanotubes and nanoribbons

Saroka

Pushkarchuk

Kuten

et al. 2018

Journal of Saudi Chemical Society

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In this paper we study the effect of absorption peak correlation in finite length carbon nanotubes and graphene nanoribbons. It is shown, in the orthogonal π-orbital tight-binding model with the nearest neighbor approximation, that if the ribbon width is a half of the tube circumference the effect takes place for all achiral ribbons (zigzag, armchair and bearded), and corresponding tubes, starting from lengths of about 30 nm. This correlation should be useful in designing nanoribbon-based optoelectronics devices fully integrated into a single layer of graphene.

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Section: Structural Modelmentioning

confidence: 99%

Hidden correlation between absorption peaks in achiral carbon nanotubes and nanoribbons

Saroka

Pushkarchuk

Kuten

et al. 2018

Journal of Saudi Chemical Society

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“…A single dot can be imagined as a piece of 2D phosphorene enclosed within a closed polygonal line without self-intersections. This general approach is useful for any 2D material, for instance, it can be used to define a graphene-based superlattice unit cell [43][44][45]. Since boundaries in crystals tend to form along specific crystallographic directions, not every polygon is suitable for the role of the small cluster boundary.…”

Section: Structures Classificationmentioning

confidence: 99%

Electro-optical properties of phosphorene quantum dots

et al. 2017

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We study electronic and optical properties of single layer phosphorene quantum dots with various shapes, sizes, and edge types (including disordered edges) subjected to an external electric field normal to the structure plane. Compared to graphene quantum dots, in phosphorene clusters of similar shape and size there is a set of edge states with energies dispersed at around the Fermi level. These states make the majority of phosphorene quantum dots metallic and enrich the phosphorene absorption gap with low-energy absorption peaks tunable by the electric field. The presence of the edge states dispersed at around the Fermi level is a characteristic feature that is independent of the edge morphology and roughness.

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“…In the tight-binding model, the electronic properties of the structures with 60° and 120° angles and pure zigzag and armchair terminations have been reported for both cases without [15] and with [16] external electric field. In addition to the asymmetric superlattices consisting from two fragments of straight ribbons of unequal lengths [15,16], a generalization of the zigzag-shaped ribbon to the case when it consists of two straight fragments of unequal width has also been proposed and the band gap dependence on these parameters has been explored [17]. Within extended tight-binding model Szczȩśniak et al [18] have investigated 120° and 150° zigzag-shaped ribbons with equal lengths of straight fragments and reported the band gap dependence as a function of corner-corner distance that was in good agreement with the first principles results in Ref.…”

Section: Introductionmentioning

confidence: 99%

Edge functionalization of finite graphene nanoribbon superlattices

Abdelsalam

Saroka

Younis

2019

Superlattices and Microstructures

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The effect of chemical functionalization on the electronic properties of graphene nanoribbon superlattices with zigzag and armchair terminations is investigated using the density functional theory. The calculated positive binding energies imply that all the considered structures are stable before and after chemical modifications. The superlattices with armchair edges are characterized by a wide energy gap while those with zigzag edges have a narrow energy gap. The energy gap in superlattices with armchair edges nearly independent of their length while it strongly decreases and almost closes in superlattices with zigzag edges. The energy gap is comparably sensitive to the width variations in both types of the superlattices. It was found that the electric dipole moment increases with increasing the width in the case of armchair while it oscillates in zigzag superlattices. The electric dipole moment can be enhanced by chemical functionalization with COOH and NH2 groups. The effect of this functionalization is moderate for the energy gap, but the adsorption of tetracyanoquinodimethane transforms the system from insulator (E g =2.66 eV) to a narrow band gap semiconductor (E g =0.25 eV). The adsorption energy of tetracyanoquinodimethane and tetrathiafulvalene molecules can be enhanced by chemical functionalization which makes graphene superlattices useful for sensor applications and wastewater treatment.

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Zigzag-Shaped Superlattices on the Basis of Graphene Nanoribbons: Structure and Electronic Properties

Cited by 17 publications

References 28 publications

Hidden correlation between absorption peaks in achiral carbon nanotubes and nanoribbons

Hidden correlation between absorption peaks in achiral carbon nanotubes and nanoribbons

Electro-optical properties of phosphorene quantum dots

Edge functionalization of finite graphene nanoribbon superlattices

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