Hydrothermally synthesized fluorescent Zn 2 SnO 4 nanoparticles for dye sensitized solar cells

Das, Partha Pratim; Roy, Anurag; Agarkar, Shruti; Devi, Parukuttyamma Sujatha

doi:10.1016/j.dyepig.2017.12.066

Cited by 16 publications

(19 citation statements)

References 42 publications

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“…In this case, the experimental lattice parameters were reported as a = 8.086 Å for ZnAl 2 O 4 ; a = 8.330 Å for ZnGa 2 O 4 [ 87 ] ; and a = 8.681 Å for Zn 2 SnO 4 . [ 14 ] It was generally observed that hybrid functionals more accurately reproduced the structural parameters for ZnAl 2 O 4 , ZnGa 2 O 4, and Zn 2 SnO 4 materials in comparison to local/semilocal formalisms, indicating that such a kind of exchange‐correlation treatment is indicated more for the reproduction of the spinel materials.…”

Section: Resultsmentioning

confidence: 99%

“…In this case, the experimental lattice parameters were reported as a = 8.086 Å for ZnAl 2 O 4 ; a = 8.330 Å for ZnGa 2 O 4 [87] ; and a = 8.681 Å for Zn 2 SnO 4 . [14] It was generally observed that hybrid functionals more accurately reproduced the structural parameters for The lattice parameters, unit cell volume, internal parameter, and bond distance results from the DFT benchmark for spinel materials using the HSE06 hybrid functional are shown in Table 1.…”

Section: Structural Parametersmentioning

confidence: 91%

“…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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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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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%

“…In this case, the experimental lattice parameters were reported as a = 8.086 Å for ZnAl 2 O 4 ; a = 8.330 Å for ZnGa 2 O 4 [87] ; and a = 8.681 Å for Zn 2 SnO 4 . [14] It was generally observed that hybrid functionals more accurately reproduced the structural parameters for The lattice parameters, unit cell volume, internal parameter, and bond distance results from the DFT benchmark for spinel materials using the HSE06 hybrid functional are shown in Table 1.…”

Section: Structural Parametersmentioning

confidence: 91%

mentioning

confidence: 99%

See 1 more Smart Citation

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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show abstract

“…Fluorescent dyes, an important kind of functional dyes, have been used in many fields such as solar cells [1,2], biological imaging [3,4], probes [5,6], and optical nanoscopy [7,8]. However, many fluorescent dyes have been banned and will be phased out in commercial uses due to the concerns of human and environmental health as well as increasing regulations.…”

Section: Introductionmentioning

confidence: 99%

Computer-Assisted Design of Environmentally Friendly and Light-Stable Fluorescent Dyes for Textile Applications

Tang

Chen

Sun

2019

IJMS

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Five potentially environmentally friendly and light-stable hemicyanine dyes were designed based on integrated consideration of photo, environmental, and computational chemistry as well as textile applications. Two of them were synthesized and applied in dyeing polyacrylonitrile (PAN), cotton, and nylon fabrics, and demonstrated the desired properties speculated by the programs. The computer-assisted analytical processes includes estimation of the maximum absorption and emission wavelengths, aquatic environmental toxicity, affinity to fibers, and photo-stability. This procedure could effectively narrow down discovery of new potential dye structures, greatly reduce and prevent complex and expensive preparation processes, and significantly improve the development efficiency of novel environmentally friendly dyes.

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“…Various synthetic techniques have been developed to improve Zn 2 SnO 4 characteristics, including co-precipitation [7], solvothermal [8], hydrothermal [9], and sol gel [10]. In addition, separate mineralizers to increase crystallization, such as NH 4 OH [10], NaOH [11], Na 2 CO 3 [12], ethylamine, n-butylamine, n-hexylamine, and n-octylamine [13] have been employed.…”

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confidence: 99%

Improving the morphological, optical, and photocatalytic properties of octahedral Zn2SnO4 using Garcinia mangostana fruit peel extract

Angasa

Putri

Zulhadjri

et al. 2020

Vacuum

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Hydrothermally synthesized fluorescent Zn 2 SnO 4 nanoparticles for dye sensitized solar cells

Cited by 16 publications

References 42 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

Computer-Assisted Design of Environmentally Friendly and Light-Stable Fluorescent Dyes for Textile Applications

Improving the morphological, optical, and photocatalytic properties of octahedral Zn2SnO4 using Garcinia mangostana fruit peel extract

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