Low temperature synthesis and characterization of zinc gallate quantum dots for optoelectronic applications

Safeera, T.A.; Khanal, Rabi; Medvedeva, Julia E.; Martı́nez, Arturo I.; Vinitha, G.; Anila, E.I.

doi:10.1016/j.jallcom.2018.01.035

Cited by 31 publications

(12 citation statements)

References 45 publications

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“…[ 68 ] Furthermore, a DFT/LDA calculation for the ZnAl 2 O 4 normal spinel was reported with a Γ‐Γ direct band‐gap of 4.25 eV. These results underestimate the experimental band‐gap energy by 36.03% for ZnAl 2 O 4 (experimental band‐gap 6.05 eV [ 103 ] ) and 48.26% for ZnGa 2 O 4 (experimental bang‐gap 4.62 eV [ 5 ] ). However, for the ZnGa 2 O 4 and ZnIn 2 O 4 materials simulated by the DFT/LDA approach, the band‐gap results were cited as indirect band‐gaps at Γ‐ K direction with 2.82 and 1.71 eV.…”

Section: Resultsmentioning

confidence: 99%

“…The experimental band‐gap for ZnGa 2 O 4 is about 4.62 eV. [ 5 ] It is possible to estimate the band‐gap energy for Zn 2 SiO 4 , Zn 2 GeO 4, and Zn 2 SnO 4 from Figure 4D‐F. Such materials have an L ‐ Γ indirect band‐gap (see Figure 4D,E), while Zn 2 SnO 4 has a Γ‐Γ direct band‐gap (Figure 4F).…”

Section: Resultsmentioning

confidence: 99%

“…On the other hand, for the inverse structure, the tetrahedral voids are filled by the Zn cations, whereas the octahedral voids are occupied by both Zn and B cations, alternating between [ZnO 4 ] tetrahedral and [ZnO 6 ]/[BO 6 ] octahedral sites in the crystal lattice. [ 1–5 ]…”

Section: Introductionmentioning

confidence: 99%

“…From this point of view, zinc aluminate (ZnAl 2 O 4 ), [6,7] zinc gallate (ZnGa 2 O 4 ), [5,8] and zinc indate (ZnIn 2 O 4 ) [9,10] compounds are normal spinels and belong to this fascinating material family. In contrast, zinc silicate (Zn 2 SiO 4 ), [11] zinc germinate (Zn 2 GeO 4 ), [12] and zinc stannate (Zn 2 SnO 4 ) [13,14] generally crystallize into a cubic inverse spinel crystal structure.…”

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Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties

Oliveira

Ribeiro

Longo

et al. 2020

Int J of Quantum Chemistry

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The structural, electronic, and vibrational properties of two leading representatives of the Zn-based spinel oxides class, normal ZnX 2 O 4 (X = Al, Ga, In) and inverse Zn 2 MO 4 (M = Si, Ge, Sn) crystals, were investigated. In particular, density functional theory (DFT) was combined with different exchange-correlation functionals: B3LYP, HSE06, PBE0, and PBESol. Our calculations showed good agreement with the available experimental data, showing a mean percentage error close to 3% for structural parameters. For the electronic structure, the obtained HSE06 band-gap values overcome previous theoretical results, exhibiting a mean percentage error smaller than 10.0%. In particular, the vibrational properties identify the significant differences between normal and inverse spinel configurations, offering compelling evidence of a structure-property relationship for the investigated materials. Therefore, the combined results confirm that the range-separated HSE06 hybrid functional performs the best in spinel oxides. Despite some points that cannot be directly compared to experimental results, we expect that future experimental work can confirm our predictions, thus opening a new avenue for understanding the structural, electronic, and vibrational properties in spinel oxides.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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confidence: 99%

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Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties

Oliveira

Ribeiro

Longo

et al. 2020

Int J of Quantum Chemistry

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“…(Bailey, Smith y Nie (2004)) permite detectar, por medio del espectro de emi-sión, diferentes anomalías en sistemas biológicos, este fenómeno constituye una de las primeras y más importantes aplicaciones de los QDs a los sistemas de biodetección basados en dispositivos de análisis (Ponnusamy et al (2007) y referencias anteriores). Además, los puntos cuánticos también están presentes en aplicaciones industriales tales como sensores de temperatura, celdas solares, y aplicaciones optoelectrónicas en moduladores, láseres (Sagadevan y Dakshanamoorthy (2012), Manoj, Hofsass y Vetter (2016), Safeera et al (2018) y Luhluh (2018)).…”

Section: Introductionunclassified

Estados electrónicos de puntos cuánticos piramidales y cónicos

Gil-Corrales

Aramburo

Echeverri

2018

reveia

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ResumenLos estados electrónicos confinados en un punto cuántico de GaAs, de forma piramidal y cónica, se han investigado a través del enfoque cuasi analítico válido para ángulos pequeños y el método exacto de elementos finitos para incluir todos los ángulos y alturas. Se han reportado los resultados de la energía de confinamiento en función de la forma y el tamaño de ambas estructuras y finalmente se han comparado los valores aproximados con los exactos provenientes del método de elementos finitos. AbstractThe electronic states confined in a quantum dot, of GaAs, of pyramidal and conical shape have been investigated through the quasi-analytical approach, valid for small angles, and the finite element method to include all angles and heights. The results of the confinement energy have been reported according to the shape and size of both structures and finally the approximate values have been compared with the exact values obtained from the finite element method. Revista EIA, ISSN 1794-1237 / Año XV / Volumen 15 / Edición N.30 / Julio-Diciembre 2018 Publicación semestral de carácter técnico-científico / Universidad EIA, Envigado (Colombia)

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An electrochemical immunosensor based on polyaniline microtubules and zinc gallinate for detection of human growth differentiation factor-15

et al. 2023

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Low temperature synthesis and characterization of zinc gallate quantum dots for optoelectronic applications

Cited by 31 publications

References 45 publications

Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties

Quantum mechanical modeling of Zn‐based spinel oxides: Assessing the structural, vibrational, and electronic properties

Estados electrónicos de puntos cuánticos piramidales y cónicos

An electrochemical immunosensor based on polyaniline microtubules and zinc gallinate for detection of human growth differentiation factor-15

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