Undoped ZnO Nanoparticles Research Articles

Exploring the cytotoxic and antioxidant properties of lanthanide-doped ZnO nanoparticles: a study with machine learning interpretation

BackgroundLanthanide-based nanomaterials offer a promising alternative for cancer therapy because of their selectivity and effectiveness, which can be modified and predicted by leveraging the improved accuracy and enhanced decision-making of machine learning (ML) modeling.MethodsIn this study, erbium (Er3+) and ytterbium (Yb3+) were used to dope zinc oxide (ZnO) nanoparticles (NPs). Various characterization techniques and biological assays were employed to investigate the physicochemical and optical properties of the (Er, Yb)-doped ZnO NPs, revealing the influence of the lanthanide elements.ResultsThe (Er, Yb)-doped ZnO NPs exhibited laminar-type morphologies, negative surface charges, and optical bandgaps that vary with the presence of Er3+ and Yb3+. The incorporation of lanthanide ions reduced the cytotoxicity activity of ZnO against HEPG-2, CACO-2, and U87 cell lines. Conversely, doping with Er3+ and Yb3+ enhanced the antioxidant activity of the ZnO against DPPH, ABTS, and H2O2 radicals. The extra tree (ET) and random forest (RF) models predicted the relevance of the characterization results vis-à-vis the cytotoxic properties of the synthesized NPs.ConclusionThis study demonstrates, for the first time, the synthesis of ZnO NPs doped with Er and Yb via a solution polymerization route. According to characterization results, it was unveiled that the effect of optical bandgap variations influenced the cytotoxic performance of the developed lanthanide-doped ZnO NPs, being the undoped ZnO NPs the most cytotoxic ones. The presence alone or in combination of Er and Yb enhanced their scavenging capacity. ML models such as ET and RF efficiently demonstrated that the concentration and cell line type are key parameters that influence the cytotoxicity of (Er, Yb)-doped ZnO NPs achieving high accuracy rates of 98.96% and 98.67%, respectively. This study expands the knowledge of lanthanides as dopants of nanomaterials for biological and medical applications and supports their potential in cancer therapy by integrating robust ML approaches.Graphical abstract

Investigation of antibacterial and anticancer activities of biosynthesized metal-doped and undoped zinc oxide nanoparticles.

Over the past 10 years, nanotechnology has emerged as a very promising technique for a wide range of biomedical applications. Green synthesized metal and metal oxide nanoparticles (NPs) are cheap, easy to produce in large quantities, and safe for the environment. Currently, efforts are being made to dope ZnO in order to improve its optical, electrical, and ferromagnetic qualities as well as its crystallographic quality. Actually, doping is one of the simplest methods for enhancing an NP's physicochemical characteristics because it involves introducing impure ions into the crystal lattice of the particle. In this study, the biosynthesis of zinc oxide NPs (ZnONPs) and metal-doped (Mg2+ and Ag+) ZnONPs was carried out by using aqueous and water-alcoholic extracts of Cynara scolymus L. leaves, Carthamus tinctorius L. flowers, and Rheum ribes L. (RrL) plant, which are rich in phytochemical content. Plant extracts act as a natural reducing, capping, and stabilizing agent in the production. The produced NPs were characterized using a variety of methods, such as ultraviolet-visible spectroscopy, Fourier transform infrared (FTIR) spectroscopy, dynamic light scattering (DLS), and scanning electron microscopy (SEM). The produced metal-doped and undoped ZnONPs exhibited characteristic absorption peaks between 365 and 383nm due to their surface plasmon resonance bands. SEM analysis revealed that the NPs were oval, nearly spherical, and spherical. In the FTIR spectra, the Zn-O bonding peak ranges from 400 to 700cm-1. The peaks obtained in the range of 407-562cm-1 clearly represent the Zn-O bond. In addition, the FTIR results showed that there were notable amounts of phenol and flavonoid compounds in both the prepared extract and ZnONPs. According to DLS analysis results, the size distribution of produced NPs is between 120 and 786nm. The antibacterial properties of green produced NPs on Gram-positive (Staphylococcus aureus RN4220) and Gram-negative (Escherichia coli DH10B) bacterial strains were investigated by agar well diffusion method. In studies investigating the anticancer activities of biosynthesized NPs, mouse fibroblast cells (L929) were used as healthy cells and human cervical cancer cells (HeLa) were used as cancer cells. Only the produced Ag-ZnONPs showed potent dose-dependent antibacterial activity (at concentrations higher than 100µg/mL) against Gram-positive and Gram-negative bacteria. RrL-ZnONP-600 and RrL-ZnONP-800 NPs produced with water-ethanol extract of RrL plant and calcined at 600 and 800°C were effective at high concentrations in healthy cells and at low concentrations in HeLa cancer cells, showing that they have the potential to be anticancer agents. The study's findings highlight the potential of green synthesis techniques in the production of medicinal nanomaterials for the treatment of cancer and other biological uses.

Visible-light induced effective and sustainable remediation of nitro organics pollutants using Pd-doped ZnO nanocatalyst

Nitroaromatic compounds represent a class of highly toxic pollutants discharged into aquatic environments by various industrial activities, posing significant threats to ecological integrity and human health due to their persistent and hazardous nature. In this study, Pd-doped ZnO nanoparticles were investigated as a potential solution for the degradation of nitro organics, offering heightened photocatalytic efficacy and prolonged stability. The synthesis of Pd-doped ZnO NPs was achieved via the hydrothermal method, with subsequent analysis through XRD spectra and XPS confirming successful Pd doping within the ZnO matrix. Characterization through FESEM and HRTEM unveiled the heterogeneous morphologies of both undoped and Pd-doped ZnO nanoparticles. Additionally, UV–vis and PL spectroscopy provided insights into the optical properties, chemical bonding, and defect structures of the synthesized Pd-doped ZnO NPs. Pd doping induces a redshift in ZnO’s absorption spectra, reducing the bandgap from 3.12 to 2.94 eV as Pd concentration rises from 0 to 0.2 wt.%. The photocatalytic degradation, following pseudo-first-order kinetics, achieved 90% nitrobenzene abatement (200 µg/L, pH 7) under visible light within 320 min with a catalyst loading of 16 µg/mL. The photocatalytic efficacy of 0.08 wt% Pd-doped ZnO (k = 0.058 min⁻1) exhibited a 25-fold enhancement compared to bare ZnO (k = 3.1 × 10–4 min-1). Subsequent quenching and ESR experiments identified hydroxyl radicals (OH•) as the predominant active species in the degradation mechanism. Mass spectrometry analysis unveiled potential breakdown intermediates, illuminating a plausible degradation pathway. The investigated Pd-doped ZnO nanoparticles demonstrated reusability for up to five successive treatment cycles, offering a sustainable solution to nitro organics contamination challenges.

Facile Green Synthesis of Undoped ZnO and Copper-Doped Zinc Oxide Nanoparticles using Albizia lebbeck leaf extract: Electrochemical Insights and Anti-Corrosion Potential

Facile Green Synthesis of Undoped ZnO and Copper-Doped Zinc Oxide Nanoparticles using Albizia lebbeck leaf extract: Electrochemical Insights and Anti-Corrosion Potential

Biogenically Synthesized ZnO and Cu-Doped ZnO Nanoparticles: Effect of Cu-Dopent Concentration and Annealing on Morphology and Optical Properties

In this work, ZnO nanoparticles and Cu-doped ZnO nanoparticles were biogenically synthesized using precipitation method in <i>Cissus quadrangularis</i> plant extract medium. The influence of Cu dopant on the crystalline structure, optical properties, and morphology of ZnO was investigated. The samples were characterized by XRD, FTIR, UV–vis spectroscopy and SEM. XRD patterns confirmed the wurtzite formation of doped and undoped ZnO nanoparticles. The average crystallite size of the neat and Cu-doped samples was ~18 nm irrespective of the amount of dopant. The annealing process enhanced the size of both the neat and Cu-doped samples. However, the influence on the size is less prominent in the Cu-doped sample than in the neat sample. The UV-visible spectral analysis shows that all the synthesized doped and undoped nano zinc oxides absorb at ~400nm. The band gap energy of Cu-doped ZnO particles was greater for unannealed samples whereas it was appreciably lowered on annealing for Cu-doped samples. SEM analysis shows rod-like morphology for the unannealed and annealed undoped zinc oxides. It is changed to flower-like morphology with the addition of 5mM Cu<sup>2+</sup> and then to nano sheet-like structure with the incorporation of higher amount of Cu<sup>2+</sup> ions. Annealing of zinc oxide samples leads to the smoothening of the surfaces with a change in morphology for the ZnO nanoparticles.

Photocatalytic, antibacterial and optoelectronic applications of Terbium doped Zinc oxide nanoparticles prepared via chemical co-precipitation method

This work demonstrates facile synthesis of Tb-doped ZnO nanoparticles and investigates their structural, optical, electrochemical, photocatalytic, and antibacterial performance. XRD patterns of undoped and doped ZnO nanoparticles confirm a hexagonal wurtzite structure. TEM and SAED reveals that the particle size is 14–38 nm. SEM images show that ZnO and Tb-doped ZnO nanoparticles have smooth surfaces, and elemental composition was confirmed by EDX analysis. UV–Visible spectrophotometry studies, reveals that the band gap narrows with increasing Tb concentration. Photoluminescence spectra at room temperature showed a band at 538 nm, indicating zinc vacancies and green emission. Tb-doped ZnO with x = 0.075 exhibited the highest photocatalytic activity for degrading Rose Bengal dye compared to other photocatalysts. The electrochemical behaviour of Catechol (CC), Hydroquinone (HQ), and Bisphenol-A (BPA) at Tb–ZnO/MCPE was studied. The modified electrode process for CC and BPA was adsorption-controlled, and simultaneous recognition of CC, HQ, and BPA was achieved, showing an increase in current. Electro polymerization of poly (Congo red) on Tb–ZnO/MCPE confirmed clean deposition on the surface, enhancing electrocatalytic activity. The antibacterial efficacy was tested using the traditional disc diffusion method, showing effective inactivation of bacterial strains, including pathogens such as S. aureus (G+) and E. coli (G-).

Tuning of structural, magnetic, and optical properties of ZnO nanoparticles by Co and Cu doping

Undoped, Cu, and Co-doped ZnO nanoparticles were synthesized by a simple co-precipitation method. We studied the structural, chemical, magnetic, and optical properties of synthesized nanoparticles by using X-ray Diffraction, Fourier Transform Infrared, Scanning Electron Microscopy, Vibrating-Sample Magnetometer, and UV–VIS spectroscopy. The X-ray Diffraction analysis discovers the crystalline hexagonal wurtzite structure and confirms the incorporation of Cu2+ and Co2+ in the ZnO lattice. The SEM photographs show that the nanoparticles are agglomerated, and the grain size of pure ZnO is decreased upon doping, showing inhibition of grain growth through doping. From VSM the coercivity and saturation magnetization of Co-doped (0.0189 emu/g and 84.044Oe) is higher as compared to pure and Cu-doped ZnO. The energy gap of doped and un-doped nanoparticles determined from the absorption spectrum indicates that it increases by doping of Copper and cobalt.

Multifunctional assessment of copper-doped ZnO nanoparticles synthesized via gliding arc discharge plasma technique: antioxidant, antibacterial, and photocatalytic performance.

In this paper, undoped and copper-doped ZnO nanoparticles (NPs) were successfully synthesized using a gliding arc discharge (GAD) plasma technique, which is a sustainable, cost-effective, and scalable method. This method offers several advantages over traditional synthesis methods. The synthesized NPs were characterized by various techniques to understand their physicochemical properties. XRD analysis confirmed the presence of characteristic peaks of pure ZnO, while doped samples exhibited additional peaks corresponding to CuO crystal planes, indicating the successful incorporation of Cu into the lattice. As obvious, bare ZnO showed absorption peak at 378 nm corresponding to the band gap of 3.21 eV. The band gap of Cu-doped samples increased systematically, i.e., 3.35 eV for 2% Cu, 3.47 eV for 4% Cu, and 3.66 eV for 6% Cu. SEM images revealed aggregation and increase in particle size with the increasing in Cu concentration. EDAX analysis revealed a decrease in the weight percentage of oxygen and zinc with the increase in Cu concentration, suggesting structural changes within the lattice. Furthermore, the antibacterial activity against Gram-positive and Gram-negative bacteria, antioxidant activity, and photocatalytic activity against three different organic dyes such as Brilliant Cresyl Blue (BCB), Methylene Blue (MB), and Congo Red (CR) was studied. It is found that the photocatalytic activity of ZnO NPs varies with Cu concentration, leading to a decrease in its performance. The antibacterial activity of the NPs was also assessed, with undoped ZnO NPs showing dose-dependent effects against bacteria, while the Cu-doped ZnO NPs exhibited decreased efficacy. Interestingly, Cu doping significantly enhanced the antioxidant activity of the NPs compared to the undoped ZnO.

Structural, electrostatic force microscopy, work function, and optical characterization of pure and Al-doped ZnO nanoparticles

The electrical and optical characteristics of pure and Al-doped zinc oxide (ZnO) nanoparticles were analyzed. The work function of these nanoparticles was investigated using Kelvin Probe Force Microscopy (KPFM). The work function of the Al-doped ZnO nanoparticles was found to be lower than that of undoped ZnO nanoparticles. Electrostatic Force Microscopy (EFM) was employed to map the distribution of charges and conductivity in both ZnO and Al -doped ZnO, revealing enhanced charge trapping and increased conductivity in the Al-doped ZnO nanoparticles compared to the undoped ones. XRD analysis verified that both pure ZnO and Al-doped ZnO nanoparticles exhibited a hexagonal wurtzite crystal structure. Additionally, Raman spectroscopy revealed new vibrational modes at 572 cm−1, which were attributed to E1 (LO) in Al-doped ZnO. UV–visible spectroscopy indicated that the band gap of Al -doped ZnO nanoparticles is wider than that of pure ZnO nanoparticles, Additionally, photoluminescence spectroscopy demonstrated a blue shift in the emission spectrum of the Al-doped ZnO nanoparticles, accompanied by a reduction in green emission defects.

Characterization of Ce3+ and Eu3+ doped and co-doped ZnO nanoparticles for luminescence applications

This paper investigates the synthesis of Ce3+ and Eu3+ doped, as well as co-doped ZnO nanoparticles using the solution combustion route. The nanoparticles exhibit a hexagonal wurtzite structure of ZnO with crystallite sizes ranging from 19 to 22 nm. Structural parameters, including lattice constants, bond lengths, and bond angles, are evaluated. Morphological diversity is observed in field-emission scanning electron microscopy images. The diffuse reflectance spectroscopy results reveal an energy band gap of 3.20 eV for undoped ZnO nanoparticles. The energy band gap value slightly decreases for Eu-doped ZnO and certain (Ce, Eu) co-doped ZnO nanoparticles. Photoluminescence (PL) excitation peaks are attributed to energy levels of native defects in the ZnO band gap, along with f–d and f–f transitions of rare-earth ions (Ce3+, Eu3+). The PL emission spectra under different excitation wavelengths (350 nm, 394 nm, and 465 nm) display varied peak positions. ZnO co-doped with 0.96 mol% of Ce3+ and 0.92 mol% of Eu3+ emerges as a promising material for luminescence applications, exhibiting a significant increase in green emission intensity. Consequently, this study represents a novel contribution to the field of ZnO-based luminescent materials.

Observation of excellent photocatalytic and antibacterial activity of Ag doped ZnO nanoparticles.

Nanotechnology is the platform with the greatest promise for scientific advancements. One of the advancement is improvement in photocatalytic and antibacterial performance. This work was undertaken to synthesize un-doped and silver (Ag) doped zinc oxide (ZnO) nanoparticles (NPs) using an inexpensive wet chemical method and to investigate the structural and optical properties, photocatalytic and antibacterial activity. The structural analysis from X-ray diffraction (XRD) pattern of un-doped and Ag-doped ZnO NPs displayed hexagonal wurtzite crystal structure and shifting in the peak position confirms the incorporation of Ag in ZnO lattice. Morphological study done by scanning electron microscope reveals spherical shaped NPs and an increase in grain size with Ag doping, the HRTEM images showed the nanocrystalline nature of particle. The Raman spectra showed variation in vibrational characteristics of the nanoparticles with Ag doping. The functional groups were analyzed using Fourier transform-infrared spectroscopy (FTIR). The optical properties were investigated by UV-visible and photoluminescence (PL) spectroscopic techniques. The Ag-doped ZnO NPs have a notably lower band gap than that of un-doped ZnO NPs, i.e. from 3.04 eV to 2.81 eV as studied by UV-visible spectra. The PL study showed decrease in intensity at near band edge emission with increase in Ag doping concentration indicating reduction in the free charge carrier recombination. These variations in the properties play major role in the enhancement of photocatalytic and antibacterial activity with increase in Ag doping concentration as compared to un-doped zinc oxide nanoparticles. The photo degradation efficiency of 99.12 ± 1% against Methylene Blue dye was achieved in the shortest period of 45 minutes ever reported when irradiated under the solar light and efficiency of 97.33 ± 1% was achieved in 15 min under Xenon Short Arc lamp. The antibacterial study was conducted using the Agar well diffusion method where the diameter of the zone of inhibition (ZOI) was increased from 14 mm to 20 mm and 13 mm to 18 mm against the bacteria Escherchia coli and Bacillus subtilis respectively, rendering this material suitable for photocatalytic degradation and antibacterial applications.

Ammonia gas sensors based on undoped and Ca-doped ZnO nanoparticles

Ca-ZnO gas sensor exibited a good response and high selectivity toward NH3 gas. Theses performances make the material an excellent candidate for monitoring ammonia gas at low concentrations.

Effect of temperature on the structure, catalyst and magnetic properties of un-doped zinc oxide nanoparticles: experimental and DFT calculation.

Zinc oxide nanoparticles were synthesized using sol-gel and hydrothermal techniques and characterized at different calcination temperatures (400, 500, and 600 °C). The study included an analysis of morphology, crystalline phase, particle size, elemental analysis, specific surface area and chemical state. Various characterization methods were employed, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray powder diffraction (XRD), surface analysis (BET), nitrogen absorption and desorption (N2-desorption), Fourier transform infrared spectroscopy (FTIR), thermal analysis (TGA-DSC), temperature-programmed reduction of hydrogen (H2-TPR). Additionally, magnetic properties ZnO nanoparticles were investigated by electron spin resonance (ESR). The investigation revealed changes in reduction behavior, electron spin states, and magnetic properties. The interplay between defects, crystallization, and stability underscores the complexity of ZnO-NPs. These findings contribute to our understanding of nanomaterials and their potential applications in various fields. Density Functional Theory (DFT) calculations with a Hubbard U correction were performed to investigate native defects in ZnO and ZnOCH structures under oxygen-poor (low temperature), oxygen-rich (high temperature) and equilibrium (average temperature) conditions. The formation energies of native defects were calculated, and ESR spectra were simulated to analyze the presence and absence of C[double bond, length as m-dash]O, C-O, CH, and OH bands, as well as to identify the native defects present during growth. The results of the formation energy calculations and the simulated ESR spectra showed that the growth environment influences the native defects that occur during the ZnO preparation process. Inconsistencies between the calculation of formation energy and the ESR spectra suggested that the C[double bond, length as m-dash]O, C-O, CH, and OH bands were negligible and could be disregarded in the ZnO nanoparticles. The findings from this study contribute to a deeper understanding of ZnO-NPs, enabling the optimization of their properties for specific applications, such as effective catalysts in chemical reactions.

Green synthesis, characterization of Ag2O doped ZnO nanoparticles using aqueous extract of Croton macrostachyus leaf for photo degradation, and antioxidant activities

This study investigates the synthesis, characterization, antioxidant properties, and photo degradationof nanoparticles made from zinc oxide that has been doped with silver oxide (Ag2Odoped ZnO NPs). The reactions utilized Croton macrostachyus leaf plant extract as reducing, stabilizing, and capping agents, while silver sulfate and zinc acetate dihydrate served as precursors. The characterization of the reactions was conducted using selected area (electron) diffraction (SAED), high-resolution transmission electron microscopy (HRTEM), transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDAX), X-ray photoelectron spectroscopy (XPS), powder x-ray diffraction (PXRD), fourier-transform infrared spectroscopy (FT-IR), and UV–visible spectroscopy (UV–Vis). The present study validated the findings that Ag2O doped ZnO nanoparticles, possessing a nanorod-like morphology, have enhanced photocatalytic and anti-oxidant properties. Additionally, the particle size ranges from 16 nm to 23 nm. The photocatalytic efficiency of ZnO nanoparticles (NPs) doped with 10 % and 5 % Ag2O was evaluated by measuring their ability to degrade methylene blue (MB) dye in natural sunlight for duration of 60 min. This material undergoes sustainable photo degradation when exposed to direct solarirradiation, resulting in a significant deterioration rate of over 95 % for a doped sample. The scavenging activities for undoped ZnO nanoparticles were 55 %. However, for ZnO nanoparticles doped with 5 % and 10 % Ag2O, the scavenging activities were improved to 83 % and 94 % respectively, as measured by DDPH scavenging. The experimental results demonstrated that the 10 % Ag2Odoped ZnO nanoparticles exhibited the greatest degrading efficiency. This can be attributed to a reduction in the band gap energy, which decreased from 3.21 eV to 2.95 eV.

3d (Co and Mn) and 4d (Ag) Transition Metal-Doped ZnO Nanoparticles Anchored on CdZnS for the Photodegradation of Rhodamine B

The construction of a heterojunction by coupling two semiconductor photocatalysts with appropriate band positions can effectively reduce the recombination of photogenerated charge carriers, thus improving their catalytic efficiency. Recently, ZnO photocatalysts have been highly sought after in the synthesis of semiconductor heterostructures due to their wide band gap and low conduction band position. Particularly, transition metal-doped ZnO nanoparticles are attractive due to the additional charge separation caused by temporary electron trapping by the dopant ions as well as the improved absorption of visible light. In this paper, we compare the effect of doping ZnO nanoparticles with 3d (Co and Mn) and 4d (Ag) transition metals on the structural and optical properties of ZnO/CdZnS heterostructures and their photocatalytic performance. With the help of scanning electron microscopy, the successful anchoring of doped and undoped ZnO nanoparticles onto CdZnS nanostructures was confirmed. Among the different heterostructures, Ag-doped ZnO/CdZnS exhibited the best visible-light-driven degradation of rhodamine B at a rate of 1.0 × 10−2 min−1. The photocurrent density analysis showed that AgZnO/CdZnS has the highest amount of photogenerated charges, leading to the highest photocatalytic performance. The reduction in the photocatalytic performance in the presence of hole scavengers and hydroxyl radical scavengers confirmed that the availability of photogenerated electrons and holes plays a pivotal role in the degradation of rhodamine B.

Green Synthesis of Doped and Undoped Zinc Oxide Nanoparticles using Aloe vera Extract and Nanocomposites with Reduced Graphene Oxide for Facile Photo Catalytic Degradation of Ponceau 4R Dye : Kinetic Study with Dopants Effect

Green Synthesis of Doped and Undoped Zinc Oxide Nanoparticles using Aloe vera Extract and Nanocomposites with Reduced Graphene Oxide for Facile Photo Catalytic Degradation of Ponceau 4R Dye : Kinetic Study with Dopants Effect

Visible Light Induced Photocatalytic Removal of Methylene Blue Using Cu-tunable p-type ZnO Nanoparticles.

Removal of phototoxicity and zootoxicity pollutants from the aqueous environment is of great importance to human and aquatic life. Copper-tunable p-type zinc oxide (Cu-ZnO) photocatalysts have been prepared by the chemical co-precipitation method. The structural, morphological, elemental and optical properties of the obtained catalysts were characterized using x-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive x-ray (EDX) analysis and ultraviolet-visible (UV-Vis) spectrophotometry. The diffraction patterns of the as-synthesized catalysts were matched with that of the hexagonal wurtzite structure for the standard ZnO nanoparticles. The photocatalytic activity of the prepared Cu-doped ZnO catalyst was evaluated using methylene blue (MB) dye under various conditions. The effect of operational parameters such as MB initial concentration, catalyst dosage, and solution pH was optimized using a face central composite design (FCCD) of the response surface methodology (RSM). The optimum photodegradation efficiency of 98.00% was found at 0.30g/L catalyst dose, 10.00mg/L initial concentration of MB and initial pH at 6.00. The degradation model was statistically remarkable with p < 0.0001% in which the MB initial concentration and solution pH were the most significant variables influencing the removal of MB over the Cu tunable p-type ZnO photocatalyst under visible light irradiation. Finally, the photocatalytic degradation of MB using the undoped and Cu-doped ZnO nanoparticles was nicely fitted pseudo-first-order kinetics scheme.

Biosynthesis of Al-doped ZnO nanoparticles with different Al doping ratio for methylene orange dye degradation activity

Al-doped ZnO nanoparticles were synthesized using the green method for dye degradation activity for the first time. The Allium Calocephalum Wendelbow (ACW) plant leaf extract has been employed in the biosynthesis of the aluminum (Al) doped and undoped (pure) zinc oxide (ZnO) nanoparticles (NPs) for the applicability of dye degradation capability. In order to investigate the dye degradation behavior process, methylene orange (MO) is being used. For produced Al-doped and undoped ZnO NPs, the efficiency and sustainability of the (ACW) leaf plant for the dye decomposition process has been examined. The produced Al-doped and pure ZnO NPs have been studied for their quality and structure using a variety of characterization technique. For the first time, the green synthesis process was applied in order to thoroughly examine the impact of the various Al-doped green ZnO nanoparticle ratios on the average size, shape, distribution, crystal structure, functional group, optical capabilities, chemical compositions, and energy band-gap. The ratio of Al-doped ZnO NPs consisted of 0% (pure), 0.025%, 0.050%, 0.075%, 0.10%, and 0.20%. The results demonstrate that the characteristics of the doped and pure green ZnO NPs are significantly affected by the varied Al-doped ZnO ratio. ACW plant leaf extract was examined using FTIR and UV–Visible spectroscopy, and the results suggested that this extract might be a promising alternative for the environmentally friendly synthesizing of both doped and undoped ZnO NPs. At ambient temperature, the UV–Visible spectra of leaf extract displayed two separate absorption peaks roughly at 262 nm and 350 nm. As additional proof of the ACW plant's use of the green method in this research, the examination of the MO dye degrading activity by Al-doped and pure ZnO NPs was conducted utilizing the newly produced Al-doped and pure ZnO NPs made to utilize the green technology. The Al-doped ZnO NPs produced at a ratio of 0.075% displayed a significant degradation rate percentage when dye degradation ability was measured with UV light. Also, the average dye degradation percentage of 90.5% for 80 min of the fabricated Al-doped green ZnO NPs displayed a quicker than average dye degradation percentage of 74% for 140 min of the fabricated pure green ZnO NPs.

Solution combustion synthesis of Dy-doped ZnO nanoparticles: An investigation of their structural, optical and photoluminescence characteristics

Undoped and Dy-doped ZnO nanoparticles were synthesized by solution combustion technique using urea as fuel. The synthesized nanoparticles were examined by various characterization tools for their structural, optical and photoluminescence properties. All the nanoparticles are found to possess the hexagonal wurtzite structure of ZnO with crystallite sizes in the range of 16–23 nm. The structural parameters viz. lattice constants, bond lengths, bond angles, and lattice strain of the nanoparticles have been evaluated. The high-resolution transmission electron micrographs and selected area electron diffraction patterns confirm the high crystallinity of the nanoparticles. The optical bandgap estimated from the diffuse reflectance spectra using the Kubelka-Munk method is found to be 2.90 eV for the undoped ZnO. A sharp narrow UV emission peak at ∼396 nm originating from the excitonic recombination is observed in the PL spectra of all the nanoparticles. The visible emission peaks in the PL spectra of undoped ZnO are attributed to different native defects, whereas in Dy-doped ZnO nanoparticles, the visible emissions (blue, yellow and red) are assigned to the 4f intrashell transitions in Dy3+ ions. It has been concluded that the solution combustion synthesized 5 mol% Dy-doped ZnO can be a promising material for white luminescence applications.

Sulfur doping concentration effect on the electronic and structural properties of ZnO nanoparticles: Insights from DFTB calculations

The structural and energetic features of sulfur - doped ZnO nanoparticles (NPs) were studied using DFTB approach. The cohesive energy reveals that lower sulfur concentration causes an increase in energetic stability. The sulfur doping concentration rate determines the most electronically stable structure. A reduction in the energy gap with increasing sulfur concentration was predicted from 4.71 eV (undoped ZnO NPs) to 0.68 eV (9S-doped ZnO NP), which represents a similar trend to experimental findings. The LUMO level considerably shifts to higher energies, while the HOMO-level down-shifts with increasing sulfur doping concentration. From ionization potential and electron affinity, the S-ZnO and 9S-ZnO NPs are the least reactive and high kinetic stability. The 9S-ZnO NP has the strongest electrophilic character, and thus, it is the most conductive structure. Finally, current research demonstrated that the sulfur doping concentration can alter the energetic properties of ZnO NP and thus provide its use in desired applications.