Chalcogenides-based quantum dots: Optical investigation using first-principles calculations

Al‐Douri, Y.; Khachai, H.; Khenata, R.

doi:10.1016/j.mssp.2015.05.016

Cited by 62 publications

(16 citation statements)

References 34 publications

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“…The refractive index n is a significant optical parameter in atomic interactions. [11] We reviewed various relationships between n and the bandgap (E g ) in order to validate the present research. As Ref.…”

Section: Resultsmentioning

confidence: 91%

“…[6] This gives C-QDs the advantage over semiconductor Q-dots such as CdTe, CdS and PbS. [7][8][9][10][11][12] A synthetic strategy to obtain C-dot nanoparticles may include 'top-down' like laser ablation [13][14][15][16] or 'bottom-up' approaches such as hydrothermal synthesis [17] , pyrolysis [18] , and microwave carbonization. [19,20] Recent studies of synthesis, analysis and characterization of C-QDbased biogenic applications have been highlighted due to its important prediction for use in future technologies.…”

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confidence: 99%

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Synthesis of carbon‐based quantum dots from starch extracts: Optical investigations

2017

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Carbon-based quantum dots (C-QDs) were synthesized through microwave-assisted carbonization of an aqueous starch suspension mediated by sulphuric and phosphoric acids. The as-prepared C-QDs showed blue, green and yellow luminescence without the addition of any surface-passivating agent. The C-QDs were further analyzed by UV-vis spectroscopy to measure the optical response of the organic compound. The energy gaps revealed narrow sizing of C-QDs in the semiconductor range. The optical refractive index and dielectric constant were investigated. The C-QDs size distribution was characterized. The results suggested an easy route to the large scale production of C-QDs materials.

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Section: Resultsmentioning

confidence: 91%

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confidence: 99%

Synthesis of carbon‐based quantum dots from starch extracts: Optical investigations

2017

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“…The refract index is associate with these entities’ density and local polarizability . There were attempts to investigate many simple relationships between energy gap E g and refractive index n . In order to validate the current work, various links between E g and n have been reviewed.…”

Section: Resultsmentioning

confidence: 99%

First‐Principles Calculations to Investigate the Refractive Index and Optical Dielectric Constant of Na₃SbX₄ (X = S, Se) Ternary Chalcogenides

Al‐Douri

Ameri

Bouhemadou

et al. 2019

Physica Status Solidi (b)

119

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Ternary chalcogenides are promising candidate for visible light absorber as they have excellent optoelectronic properties. The ternary chalcogenides Na3SbX4 (X = S, Se) are investigated by using first‐principles calculations based on density functional theory (DFT). These chalcogenides have direct bandgap. The upper valence bands are predominantly composed of S or Se p‐orbitals and lower conduction bands consist of hybridization between Sb and S or Se p‐orbitals electrons. The optical absorption is investigated by calculating dielectric functions, refractive index, and optical dielectric constant. Our results of electronic and optical properties suggest potential of superionic conductors and energy storage applications.

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“…On the other hand, EVGGA and BJ are capable of reproducing the exchange potential with less accuracy in the exchange energy. The QD potential can be calculated by

true P_{Q D} = \frac{b}{a} E_{g} \times 10^{- 3} λ,

…”

Section: Commonly Used Computational Methods In Quantum Dot Simulationsmentioning

confidence: 99%

Overview of Computational Simulations in Quantum Dots

Yang

et al. 2019

Israel Journal of Chemistry

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Quantum dots (QDs) are semiconductor nanocrystals that exhibit exceptional properties not found in their bulk counterparts. They have attracted extensive academic and industrial attentions due to their quantum confinement effects and unique photophysical properties. Computational approaches such as first principles and classical molecular dynamics simulations are indispensable tools in both scientific studies and industrial applications of QDs. In this review, the state‐of‐the‐art progress in computational simulations of optical, electronic and thermal properties of QDs is summarized and discussed. First, the physics of QDs in low dimensional materials are comprehensively reviewed. Then, the theoretical basis and practical applications of two main computational methods are presented. Properties of QDs revealed by computational studies are summarized respectively. Finally, the paper was concluded with comments on future directions in computational modeling of QDs.

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Chalcogenides-based quantum dots: Optical investigation using first-principles calculations

Cited by 62 publications

References 34 publications

Synthesis of carbon‐based quantum dots from starch extracts: Optical investigations

Synthesis of carbon‐based quantum dots from starch extracts: Optical investigations

First‐Principles Calculations to Investigate the Refractive Index and Optical Dielectric Constant of Na₃SbX₄ (X = S, Se) Ternary Chalcogenides

Overview of Computational Simulations in Quantum Dots

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Chalcogenides-based quantum dots: Optical investigation using first-principles calculations

Cited by 62 publications

References 34 publications

Synthesis of carbon‐based quantum dots from starch extracts: Optical investigations

Synthesis of carbon‐based quantum dots from starch extracts: Optical investigations

First‐Principles Calculations to Investigate the Refractive Index and Optical Dielectric Constant of Na3SbX4 (X = S, Se) Ternary Chalcogenides

Overview of Computational Simulations in Quantum Dots

Contact Info

Product

Resources

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First‐Principles Calculations to Investigate the Refractive Index and Optical Dielectric Constant of Na₃SbX₄ (X = S, Se) Ternary Chalcogenides