Optical properties of geometrically optimized graphene quantum dots

Bugajny, P.; Szulakowska, Ludmila; Jaworowski, Błażej; Potasz, Paweł

doi:10.1016/j.physe.2016.08.030

Cited by 9 publications

(5 citation statements)

References 37 publications

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“…The above-described procedure is intended to imitate the result of various uncontrolled fluctuations in the conditions of quantum dot synthesis. Ideally, it should be supplemented with the edge relaxation via geometry optimization procedure, as has been done for graphene quantum dots [51,52]. However, to reveal the pure effect of the edge roughness, we neglect such a relaxation and assume that all the atoms has the same coordinates as they would have within the 2D phosphorene.…”

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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Section: Structures Classificationmentioning

confidence: 99%

Electro-optical properties of phosphorene quantum dots

et al. 2017

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“…Graphene quantum dots (GQDs) are graphenes with finite size, which can be fabricated by bottom-up and top-down synthesis approaches [1,2]. Several theoretical studies were already performed studying the electronic and optical properties of GQDs [3][4][5][6][7], analyzing the influence of size, shape, functional groups and gas adsorption on electronic and optical properties.…”

Section: Introductionmentioning

confidence: 99%

Density functional theory model for carbon dot surfaces and their interaction with silver nanoparticles

Ambrusi

Arroyave

Centurión

et al. 2019

Physica E: Low-dimensional Systems and Nanostructures

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Density functional theory (DFT) and time dependent density functional theory (TDDFT) calculations were performed to represent carbon dots surfaces. The addition of different oxygen functional groups to the aromatic carbon core structure and the stability in the interaction with silver nanoparticles was also investigated. Adsorption energies were evaluated in order to compare the competition for adsorption sites on silver surface with D-glucose and D-gluconate ion molecules. The -COOH and -COO groups and the interaction of the latter with silver were proposed to explain some features of the UV-visible absorption spectra, which could also contribute to an explanation for the charge observed on carbon dot surfaces.

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“…On the other hand, the electronic probability density for the zigzag determinant sign homomorphism conduction state |λ; Z, σ e , + , determined by a fixed weight λ ∈ L σ e ,+ Z,M , equals according to relation (145) the probability density for the corresponding identity sign homomorphism valence state |λ; Z, 1, − and vice versa. This calculated probability density role switching between the Dirichlet/Neumann boundary behaviour and the zigzag valence/conduction states, illustrated in figure 6, potentially contributes to extensive research of the zigzag edge states [2,6,24,60,62].…”

Section: Discussionmentioning

confidence: 89%

“…Single and multilayer graphene quantum dots [23,41,45,59], nanoribbons [9,63] and nanotubes [10,12] represent significant classes of mesoscopic graphenebased structures [54]. Single and multiparticle propagation characteristics [16,52], behaviours in electric and magnetic fields [17,18,39] together with optical properties [6,35,50] of these graphene structures have been researched. As fundaments for further theoretical and experimental analysis, single-electron properties of single-layer circular [22,57], hexagonal [14,52,61] and triangular [2,18,21,24,53,61] quantum dots have been extensively numerically and analytically investigated.…”

Section: Introductionmentioning

confidence: 99%

On electron propagation in triangular graphene quantum dots

Hrivnák¹,

Motlochová²

2022

J. Phys. A: Math. Theor.

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Tight-binding models of electron propagation in single-layer triangular graphene quantum dots with armchair and zigzag edges are developed. The electron hoppings to the nearest and next-to-nearest neighbours on the honeycomb lattice as well as interactions with the confining Dirichlet and Neumann walls are incorporated into the resulting tight-binding Hamiltonians. Associated to the irreducible crystallographic root system A 2, the armchair and zigzag honeycomb Weyl orbit functions together with the related discrete Fourier–Weyl transforms provide explicit exact forms of the electron wave functions and energy spectra. The electronic probability densities corresponding to the armchair and zigzag dots are evaluated and their contrasting behaviour exemplified.

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Optical properties of geometrically optimized graphene quantum dots

Cited by 9 publications

References 37 publications

Electro-optical properties of phosphorene quantum dots

Electro-optical properties of phosphorene quantum dots

Density functional theory model for carbon dot surfaces and their interaction with silver nanoparticles

On electron propagation in triangular graphene quantum dots

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