A comparative study of ZnO, CuO and a binary mixture of ZnO<sub>0.5</sub>-CuO<sub>0.5</sub> with nano-dye on the efficiency of the dye-sensitized solar cell

Aboud, Nibras Abdul-Ameer; Alkayat, Wafaa M. S; Hussain, Dhia Hadi; Rheima, Ahmed Mahdi

doi:10.1088/1742-6596/1664/1/012094

Cited by 12 publications

(6 citation statements)

References 21 publications

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“…The energy gap (E g ) of the ZnO NPs can be calculated using Eq. 1 , where E g represents the energy gap and x denotes the maximum wavelength [ 54 ]. …”

Section: Resultsmentioning

confidence: 99%

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Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin

Al-Garawi,

Ismail,

Hillo

et al. 2024

Discover Nano

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A comprehensive investigation into the green synthesis of metal oxide nanoparticles (NPs) has garnered significant attention due to its commendable reliability, sustainability, and environmentally friendly attributes. Green synthesis methods play a crucial role in mitigating the adverse effects associated with conventional approaches employed for nanostructure preparation. This research endeavors to examine the impact of ginger plant extract-assisted green synthesis of metal oxides NPs on the serum ferritin levels of anemic diabetic patients in vitro, focusing specifically on α-Fe2O3 and ZnO NPs. Sixty diabetic volunteers with anemia (35–50 years) and thirty healthy volunteers were enrolled as controls. The assessment was conducted using the VIDAS Ferritin (FER) assay. Photoluminescence (PL) spectroscopy measurements were performed to elucidate the intrinsic and extrinsic transitions of these NPs, affirming the successful formation of α-structured iron oxide. Density functional theory (DFT) calculations were carried out at the B3LYP/6-311++G(d,2p) level of theory to investigate the geometry optimization and molecular electrostatic potential maps of the NPs. Furthermore, TD-DFT calculations were employed to explore their frontier molecular orbitals and various quantum chemical parameters. The binding affinity and interaction types of ZnO and α-Fe2O3 NPs to the active site of the human H-Chain Ferritin (PDB ID: 2FHA) target were determined with the help of molecular docking. Results unveiled the crystalline structure of ZnO and the α-structure of α-Fe2O3. Analysis of the frontier molecular orbitals and dipole moment values demonstrated that ZnO (total dipole moment (D) = 5.80 µ) exhibited superior chemical reactivity, biological activity, and stronger molecular interactions with diverse force fields compared to α-Fe2O3 (D = 2.65 µ). Molecular docking of the metal oxides NPs with human H-chain ferritin provided evidence of robust hydrogen bond interactions and metal-acceptor bonds between the metal oxides and the target protein. This finding could have a great impact on using metal oxides NPs-ferritin as a therapeutic protein, however, further studies on their toxicity are required. Graphical abstract

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“…The energy gap (E g ) of the ZnO NPs can be calculated using Eq. 1 , where E g represents the energy gap and x denotes the maximum wavelength [ 54 ]. …”

Section: Resultsmentioning

confidence: 99%

“…The energy gap (E g ) of the ZnO NPs can be calculated using Eq. 1, where E g represents the energy gap and x denotes the maximum wavelength [54]. On the other hand, α-Fe 2 O 3 NP exhibited a single emission peak in its PL spectrum (Fig.…”

Section: Photoluminescence (Pl) Spectroscopymentioning

confidence: 99%

Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin

Al-Garawi,

Ismail,

Hillo

et al. 2024

Discover Nano

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“…A peak in the region (480-490 nm) indicated the emission peak of the photoluminescence analysis of α-Fe2O3 at room temperature and the formation of iron oxide NPs [17]. Energy gap values of α-Fe2O3 NPs measured according to the equation [18]:…”

Section: Photoluminescence (Pl) Spectroscopymentioning

confidence: 99%

Green Synthesis of Α-Fe2O3 from Ginger Extract Enhanced the Potential Antioxidant Activity Against DPPH

Hilo¹,

Ismail²,

Al‐Garawi³

2022

Al-Mustansiriyah Journal of Science

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Synthesis of nano-oxides in an easy and environmentally friendly way using simple and green materials is one of the hot interests of sustainable chemistry for lots of pharmaceutical and medical applications. Herein, we synthesized α-Fe2O3 nanoparticles (α-Fe2O3 NPs) using ginger extract after that calcination at 400 C° for 4 h. The prepared α-Fe2O3 nanoparticles were examined using ultraviolet-visible reflection spectroscopy (UV-VIS), Fourier Transform Infrared Spectroscopy (FTIR), photoluminescence spectroscopy (PL), X-ray diffraction (XRD), field emission scanning microscopy (FE-SEM), energy-dispersive X-ray (EDX) spectroscopy, and zeta potential. After well characterizations, the potency of the prepared α-Fe2O3 nanoparticles to monitor some scavenging activity was explored against DPPH. Results revealed that PL intensity has one peak in the UV region between (480-490) nm of the spectrum depending on the geometric shape and size of the α-Fe2O3 NPS. The UV-visible spectra showed a peak at 296.0 nm, which represented the α-Fe2O3 NPs. The EDX micrograph confirmed pure oxide and the XRD pattern showed that the α-Fe2O3 NPs had an average crystal size (19.3) nm. SEM images of α-Fe2O3 NPs revealed spherical, rod, and irregular shapes and sizes ranging from (15 to 60) nm. Moreover, the antioxidant activity of α-Fe2O3 NPs against DPPH showed 51.8% free radical scavenging ability at 360 μg/mL, which approved good evidence of the antioxidant activity of α-Fe2O3 NPs.

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“…Optical absorbance for ZnO and Li 2 O thin films was obtained at room temperature via (UV-VIS-NIR) spectrophotometer (type Shimadzu, UV-1800). The data of the absorbance are used to calculate the absorption coefficient by using equation [17]:…”

Section: Characterizationmentioning

confidence: 99%

Fabrication of FTO/Li2O/ZnO/p-PSi/Al solar cell by chemical precipitation method

Hussan¹,

Bakr²,

N.³

et al. 2021

JOR

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In this paper, electrochemical etching of the p-type silicon wafer is used to prepare p-type porous silicon with a current density of 10 mA.cm-2 for 10 minutes. Zinc oxide and lithium oxide nanoparticles are prepared separately by chemical precipitation method and simple precipitation method respectively and deposited on glass substrates by drop-casting method. Moreover, the structural and optical properties of the films were analyzed by using XRD and UV-Vis. The XRD results showed that the ZnO and Li2O films are polycrystalline with hexagonal wurtzite structure and cubic structure, and preferred orientation along (101) and (003) planes, respectively. Using Scherrer's formula, the crystallite size was measured and it was found that ZnO and Li2O thin films have a crystallite size of 22.04 and 45.6 nm respectively. The atomic force microscope image and the distribution chart of the grains of the ZnO and Li2O films displayed the grain sizes of~ 58.45 and 83.19 nm. The absorption coefficient spectrum of films were recorded by Ultra Violet–Visible spectrophotometer. The energy band gaps of the films calculated by Tauc’s formula were ~ 4.18 and 5.5 eV. The results demonstrated that the conversion efficiency for Al/Li2O/ZnO/p-PSi/Al, Al/Li2O/ZnO/FTO and FTO/Li2O/ZnO/p-PSi/Al tandem (porous silicon/FTO) solar cells were 0.313%, 0.764% and 24.6%.

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A comparative study of ZnO, CuO and a binary mixture of ZnO_0.5-CuO_0.5 with nano-dye on the efficiency of the dye-sensitized solar cell

Cited by 12 publications

References 21 publications

Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin

Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin

Green Synthesis of Α-Fe2O3 from Ginger Extract Enhanced the Potential Antioxidant Activity Against DPPH

Fabrication of FTO/Li2O/ZnO/p-PSi/Al solar cell by chemical precipitation method

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A comparative study of ZnO, CuO and a binary mixture of ZnO0.5-CuO0.5 with nano-dye on the efficiency of the dye-sensitized solar cell

Cited by 12 publications

References 21 publications

Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin

Experimental and density functional theory studies on some metal oxides and the derived nanoclusters: a comparative effects on human ferritin

Green Synthesis of Α-Fe2O3 from Ginger Extract Enhanced the Potential Antioxidant Activity Against DPPH

Fabrication of FTO/Li2O/ZnO/p-PSi/Al solar cell by chemical precipitation method

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A comparative study of ZnO, CuO and a binary mixture of ZnO_0.5-CuO_0.5 with nano-dye on the efficiency of the dye-sensitized solar cell