ZnO Nanostructures Research Articles

Exploring the multi-faceted potential: Synthesized ZnO nanostructure – Characterization, photocatalysis, and crucial biomedical applications

This research describes the methodology for synthesizing zinc oxide nanoparticles (ZnO-NPs). It demonstrates a unique, cost-effective, and non-toxic chemical technique for producing ZnO-NPs using the precipitation method with NaOH as reducing and capping agents. The formed nanoparticles have been characterized and analyzed using numerous techniques such as; Fluorescence emission spectroscopy (FL), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray Spectroscopy (EDX), ultraviolet–visible optical absorption (UV–Vis), Fourier transform infrared spectroscopy (FTIR), and Thermal gravimetric analysis (TGA). Also, the analytical technique X-ray diffraction studies has been used which showed that the ZnO-NPs had a Wurtzite hexagonal crystal structure with an average crystallite size of 34.27 nm. The form and the size of the synthesized ZnO-NPs have been seen in SEM and TEM photographs. Using J-image, particle size has been obtained at 13.33 nm, and the grain boundaries were all approximately spherical. Peaks in the FT-IR spectrum of the NPs indicate the presence of carboxylate (COO) and hydroxyl (O–H) functional groups. According to these findings, Zn interstitial defects are responsible for the 380 nm emission peak. Since EDX could not identify any impurities below the detection threshold, we may be sure that Zn and O are the principal components of the synthesized sample. ZnO-NPs cause an absorption band at 350.34 nm in the UV–Vis spectrum and a band gap of 3.24 eV. The catalytic activity of the synthesized ZnO nanoparticles (NPs) was evaluated by investigating their effectiveness in degrading crystal violet (CV) and methylene blue (MB) dyes, along with assessing the degradation rates. The results demonstrated a high degradation efficiency, with ZnO NPs achieving approximately 96.72 % degradation for CV and 97.169 % for MB dyes, underscoring their remarkable efficacy in the degradation process. As for antimicrobial activity assessment, the results revealed that the ZnO-NPs had negligible impact on Gram-negative bacteria, whereas they exhibited a discernible effect on Gram-positive bacteria. Additionally, it showed anti-cancer potential against colon (SW480), breast (MDA-231), and cervix (HELA) lines cells as seen by (MTT) assay. Hence, due to its simplified processes and cheaper chemicals, our synthesis technique may use in industrial settings for various applications.

Highly sensitive and selective room temperature acetone sensing properties of Co doped ZnO nanostructure films

Highly sensitive and selective room temperature acetone sensing properties of Co doped ZnO nanostructure films

Enhanced photocatalytic performance by ZnO/Graphene heterojunction grown on Ni foam for methylene blue removal

ZnO nanostructures were obtained by electrodeposition on Ni foam, where graphene was previously grown by chemical vapor deposition (CVD). The resulting heterostructures were characterized by X-ray diffraction and SEM microscopy, and their potential application as a catalyst for the photodegradation of methylene blue (MB) was evaluated. The incorporation of graphene to the Ni substrate increases the amount of deposited ZnO at low potentials in comparison to bare Ni. SEM images show homogeneous growth of ZnO on Ni/G but not on bare Ni foam. A percent removal of almost 60% of MB was achieved by the Ni/G/ZnO sample, which represents a double quantity than the other catalysts proved in this work. The synergistic effects of ZnO-graphene heterojunctions play a key role in achieving better adsorption and photocatalytic performance. The results demonstrate the ease of depositing ZnO on seedless graphene by electrodeposition. The use of the film as a photocatalyst delivers interesting and competitive removal percentages for a potentially scalable degradation process enhanced by a non-toxic compound such as graphene.

Biogenic Ag-doped ZnO nanostructures induced cytotoxicity in luminal A and triple-negative human breast cancer cells.

Aim: To evaluate the apoptosis-inducing properties of undoped and silver-doped-zinc-oxide nanoparticles (SDZONs) synthesized using Boswellia serrata against MCF-7 (Luminal-A) and MDA-MB-231(Triple-negative) breast cancer cell lines.Methodology: Nanostructures were developed by facile biohydrothermal method and characterized by x-ray diffraction (XRD), Fourier transform infrared (FTIR), and high resolutiontransmission electron microscopy (HR-TEM). The comparative effect of doping and dose concentration of nanostructures on cytotoxicity was measured using MTT and trypan-blue-exclusion assay.Results: SDZONs exhibited greater cytotoxicity (20.71%, 27.31% cell viability) as compared with undoped nanostructures (35.81%, 37.08% cell viability) against MCF 7 and MDA-MB-231, respectively.Conclusion: The activity of biogenic nanostructures was highly dependent on doping, dose, and type of cell lines used. The novel biogenic SDZONs could be exploited as a promising, cost-effective, and environmentally benign strategy to curb breast cancer.

Synergistic effects of La-doping on ZnO nanostructured photocatalysts for enhanced MB dye degradation

In this work, we present the design and characterization of pristine and La-doped ZnO photocatalysts, prepared via a facile co-precipitation technique. A comprehensive range of characterization techniques was employed to analyze the physicochemical properties of these synthesized nanostructured photocatalysts. The slight shift in the position of peaks in the X-ray diffraction (XRD) pattern confirms successful doping (La3+) of ZnO. Additionally, the identified wurtzite phase further validates the presence of ZnO nanostructures. Subsequent photocatalytic investigations were conducted using model solutions of water and methylene blue (MB) dyes under solar irradiation, meticulously comparing the performance of pure ZnO with La3+ doped ZnO. Over the time span of 90 min, the 5 % La-doped ZnO photocatalysts exhibited an impressive 98 % degradation efficiency for MB dye, surpassing the performance of the pristine ZnO counterpart (0 % La), which achieved only 51 % degradation. This emphasizes the pronounced enhancement resulting from the incorporation of La ions. The photoluminescence (PL) spectra insights with 5 % La3+doping exhibit significant quenching, caused by the suppression of charge carrier recombination, which enhances the photocatalyst's charge transport. X-ray photoelectron spectroscopy (XPS) spectra provided crucial insights into the elemental composition and chemical states of the 5 % La3+ doped ZnO nanostructures. Through systematic reusability assessments, it was established that the 5 % La-doped ZnO photocatalysts maintain their efficiency for up to four cycles, without displaying a significant reduction in removal efficacy. This emphasizes the inherent reliability and robustness of the developed photocatalysts.

Effect of Boron-doping and annealing on the structure, morphological and optical properties of ZnO films prepared by spray pyrolysis method

Abstract This study investigates the influence of boron doping from boric acid (H3BO3) on the structural, morphological, and optical properties of ZnO thin films deposited on glass substrates via spray pyrolysis at a deposition temperature of 250 °C. Subsequently, they undergo annealing in air at varying temperatures (200, 300, and 400 °C) for 45 min. The research reveals a significant dependence of all investigated properties on both annealing temperature and boron doping. Both pristine ZnO and boron-doped ZnO (BZO) films exhibit a polycrystalline hexagonal wurtzite structure. At the highest annealing temperature (400 °C), both films demonstrate high optical transmittance exceeding 70%, with crystallite diameters ranging from 25.8 to 28.5 nm for ZnO and 15.96 to 24.80 nm for BZO. Additionally, both films exhibit pronounced absorbance up to 400 nm. Scanning electron microscopy (SEM) analysis confirms a uniformly thick film surface. As the annealing temperature increases, the crystallite size grows, particle morphology evolves, and the overall film thickness increases. Fourier transform infrared (FTIR) spectroscopy validates the successful incorporation of boron atoms into the ZnO lattice structure. No contaminant peaks are observed in the FTIR spectra, indicating film purity. Furthermore, the study finds that BZO films possess a narrower optical band gap compared to pristine ZnO films. The band gap of the as-deposited and annealed BZO films is measured to be 3.04 eV and 2.9 eV, respectively, which is lower than the 3.23 eV band gap observed for the ZnO film. In general, the band gap exhibits a decreasing trend with increasing annealing temperature.

Zinc oxide nanoparticles immobilized on polymeric porous matrix for water remediation

This work proposes a novel approach to producing composite membranes by immobilizing and blending ZnO nanoparticles within a polymer matrix. The focus is investigating how different immobilization techniques impact membrane performance in critical technological applications, including membrane fouling mitigation and photocatalytic degradation. Lab-synthesized ZnO nanostructures were immobilized within a natural cellulose acetate (CA) matrix using a spray coating technique. To ensure comprehensive exploration, CA membranes with 12% and 15% wt polymer concentrations, which demonstrated superior overall performance in previous studies, were cast and prepared. The membranes underwent phase inversion, and a specially prepared ZnO solution was sprayed onto the membrane surface, creating a unique blend of polymer and nanoparticles. This comparative study highlights distinctions between nanomaterial immobilization techniques (mixing and spray coating) while maintaining identical polymer content. Such insights are crucial for both industrial applications and laboratory-scale research. The photocatalytic degradation of the reactive and toxic dye methylene blue (MB) served as a model reaction, employing a UV light module. Results unequivocally demonstrated that, irrespective of the immobilization technique employed, the combination of CA and ZnO nanoparticles significantly enhanced the photocatalytic activity of the membrane in degrading methylene blue (MB). Specifically, the dye concentration decreased from 25 to approximately 8 mg/L for both the spray coating and bulk immobilization methods, resulting in 62% and 69% dye degradation, respectively. These findings underscore the versatility of different immobilization techniques in various aspects of membrane technology. The CA-ZnO composite exhibited efficacy in photocatalytic MB degradation tests, offering promising alternatives for designing polymeric membranes tailored for contaminant removal, particularly in treating textile dye-contaminated aqueous solutions. The exploration of diverse immobilization techniques for nanocomposites presents an exciting avenue for optimization in different membrane technological processes.

Synthesis and characterization of ZnO tetrapod-like nanorods without catalyst by wet thermal evaporation and applied on dye-sensitized solar cells

Dye-sensitized solar cells (DSSCs) continue to attract as one of the most important renewable energy technologies due to their simple production, environmentally friendly, and lower-cost fabrication process compared to the most common types of solar cells. Zinc oxide (ZnO) nanostructures have motivated researchers to fabricate DSSCs as photo-anodes due to their unique properties, such as different types of structures, appropriate optical properties, proper energy bandgap, and high electron transfer characteristics. This article reports the simple preparation of ZnO tetrapod-like nanorods using the wet thermal evaporation method on porous silicon substrate PS/Si and applied as a photoanode on DSSCs. ZnO nanostructures were characterized by using grazing-angle X-ray diffraction (XRD), scanning electron microscopy (SEM), and photoluminescence (PL) measurements. A significant difference in the performance of DSSCs has been investigated by using a standard dye di-tetrabutylammonium cis–bis(isothiocyanate)bis(2,2[Formula: see text]-bipyridyl-4,4[Formula: see text]-dicarboxylato) ruthenium (II) (N719) reloaded on ZnO tetrapod-like nanorods ([Formula: see text], [Formula: see text], [Formula: see text]%, and [Formula: see text]%) being more efficient than the ZnO spherical nanoparticles as a reference solar cell ([Formula: see text], [Formula: see text], [Formula: see text]%, and [Formula: see text]%).

Studies of optoelectrical properties of Mn-doped ZnO nanostructure for supercapacitor and photodetector applications

The transition metal Manganese (Mn)-doped Zinc Oxide (ZnO) nanoparticles were synthesized using the sol-gel method. The nanomaterials ZnO and Zn1-xMnxO (x=0–0.15) formation, their crystal structure, and morphological properties were confirmed by X-ray Diffraction (XRD) and Scanning Electron Microscope (SEM) analysis of the materials. All the studied materials show hexagonal wurtzite structure with the particle size in nanometres. The optical properties of transition metal Mn-doped ZnO nanomaterials were explored by the absorption and transmission spectra. The band gap of the nanomaterials decreases with the increase of Mn doping concentration from 3.01 to 3.26 eV. The mobility and electrical conductivity of the Mn-doped ZnO thin films show a decreasing trend with the increase of Mn doping concentration in ZnO. The Mn-doped materials were investigated for supercapacitor and photodiode applications. The Zn0.90Mn0.10O nanomaterials show the maximum specific capacitance, power and energy density of ∼ 220 F/g, 2202 W/kg and 1.15 Wh/kg, respectively. The electrochemical properties confirm that the doping of ZnO opens a new window for its application in energy storage devices. The ZnO and Mn-doped ZnO were used as an electron transport layer in perovskite MAPbI3 photodiodes. Under the Illumination of blue (465 nm) light, the highest detectivity of undoped ZnO perovskite photodiode is ∼4.5×1010 Jones and doped ZnO perovskite photodiode is 0.7×1010 Jones, respectively. The low mobility of charges and unfavorable energy level alignment of Mn-doped ZnO with MAPbI3 thin films is the reason for the decrease in photo detectivity. Our studies demonstrate that the Mn-doped ZnO nanomaterials and their thin films have avenues for potential application in energy storage devices and photodiodes of perovskite MAPbI3.

Biogenic synthesis of hybrid array of ZnO nanoparticles and nanorods for modeling the surface response behavior of Congo red dye in adsorptive studies

ZnO nanostructures are of substantial interest because of having exclusive potential to inculcate in the plethora of applications. Numbers of reports have been reported in literature depicting the synthesis of ZnO nanostructures with variable dimensions using different precursors with complex mechanism. As per our knowledge, no research work discussing the synthesis of hybrid array of ZnO nanoparticles and nanorods based on single precursor in one pot biogenic reaction has been discoursed so far. Herein, ZnO nanostructures (0-D and 1-D) have been biogenically synthesized at room temperature with average crystallite size of 43.05 nm as depicted by XRD results and further utilized to remove Congo Red dye from aqueous solution. The maximum monolayer adsorption capacity has been found to be 16.6670 mg g−1 at 298 K temperature. Isotherm models and thermodynamic study have suggested the feasible monolayer adsorption of Congo Red dye on ZnO with activation energy of 21.616 kJ mol−1.

Rapidly chemical preparation of Mn doped ZnO nanostructures for photocatalysis efficiency based on UV light system and mechanism insights

Through a facile chemical precipitation process, pure zinc oxide (ZnO) and various ratio of Mn-doped zinc oxide (Zn1-xMnxO) nanostructured materials were synthesized. The degradation of an azo dye acid orange 2 (AO-2) solution under UV light was investigated using the synthesized materials as photocatalysts. XRD, FTIR, DLS, FESEM, EDS, PL, BET, magnetic, TGA and UV–vis techniques were used to elucidate the structural, functional, particle, elemental, morphological, and optical aspects of the catalysts. The XRD and FESEM analysis showed the hexagonal ZnO structure and spherical shape of the ZnO nano-photocatalyst, respectively. The crystal sizes of Zn1-xMnxO are 27.40–38.31 nm. The optical band gap energy of Zn1-xMnxO are 2.53–3.10 eV. Under UV irradiation for 60 min, MZ-25 NPs demonstrated better degradation (100.0%) of AO-2 dye. The effect of various factors such as catalyst quantity, and pH of the dye solution on the rate removal was investigated. After 60 min of UV light irradiation, dye removal was obtained under ideal conditions (with catalyst loading of 3 mgL−1, and pH 4). The rate constant values of MZ-25 sample are determined to be 0.0219 min−1. The scavenging test reveals that ∙O2 − and ∙OH are responsible for the photo-degradation of AO-2 dye.

Enhanced Field Emission and Low-Pressure Hydrogen Sensing Properties from Al-N-Co-Doped ZnO Nanorods.

ZnO nanostructures show great potential in hydrogen sensing at atmospheric conditions for good gas adsorption abilities. However, there is less research on low-pressure hydrogen sensing performance due to its low concentration and in-homogeneous distributions under low-pressure environments. Here, we report the low-pressure hydrogen sensing by the construction of Al-N-co-doped ZnO nanorods based on the adsorption-induced field emission enhancement effect in the pressure range of 10-7 to 10-3 Pa. The investigation indicates that the Al-N-co-doped ZnO sample is the most sensitive to low-pressure hydrogen sensing among all ZnO samples, with the highest sensing current increase of 140% for 5 min emission. In addition, the increased amplitude of sensing current for the Al-N-co-doped ZnO sample could reach 75% at the pressure 7 × 10-3 Pa for 1 min emission. This work not only expands the hydrogen sensing applications to the co-doped ZnO nanomaterials, but also provides a promising approach to develop field emission cathodes with strong low-pressure hydrogen sensing effect.

Green synthesis and studies on citrus medica leaf extract-mediated Au–ZnO nanocomposites: A sustainable approach for efficient photocatalytic degradation of rhodamine B dye in aqueous media

Abstract Incorporating narrow band gap oxide semiconductors and metals into zinc oxide (ZnO) nanostructures broadens the range of light sensitivity to include visible wavelengths. In this study, the photocatalytic degradation of rhodamine B (RhB) dye was studied as a model for environmental pollution in aqueous media. This study describes the use of photodegradation catalysts, including gold (Au), ZnO, and Au–ZnO nanocomposites (prepared in ratios of 90:10 and 95:5) using the extract of Citrus medica leaves. X-ray diffraction (XRD) findings have shown that ZnO nanoparticles (NPs) have a hexagonal wurtzite structure. Field emission-scanning electron microscopy findings have depicted that ZnO NPs have diverse shapes, including spherical, quasi-spherical, hexagonal, and anisotropic, with some clumping. Au exhibits consistent spherical shapes and sizes with even distribution. Au–ZnO (90:10) shows quasi-spherical NPs with interconnected spherical Au, forming a porous and uneven surface. Au–ZnO (95:5) has spherical gold nanoparticles (Au NPs) dispersed on a textured ZnO surface, with some clustering and size variation as evident from the transmission electron microscopy, atomic force microscopy, and diffuse reflectance UV-visible spectroscopy analysis. The characterization results have demonstrated the uniform distribution of Au across the ZnO lattice. Additionally, the XRD patterns confirmed the hexagonal wurtzite structure of ZnO. Furthermore, energy-dispersive analysis of X-ray (EDX)-mapping verified the inclusion of zinc, oxygen, and Au in the hybrid Au–ZnO nanocomposites and their effective distribution. The topological analysis revealed a rough surface for the generated nanostructures. By comparing the results of various techniques, EDX analysis using atomic and weight ratios confirmed the presence of oxygen and Au in the nanocomposite. Additionally, the surface area analysis (BET) test has reported that the adsorption and desorption of nitrogen follow a Type III isotherm. The presence of an H3-type hysteresis loop further confirms the mesoporous nature of the composites, which reports the presence of wedge-shaped pores. The Au–ZnO (90:10) nanocomposite exhibits a higher surface roughness compared to other composites. In addition, this UV-visible diffuse reflectance spectroscopy has enumerated the band gaps of various nanomaterials using UV-visible spectroscopy. Moreover, the analysis has unveiled that combining ZnO with Au NPs (doping) improved the photocatalytic performance of ZnO. This improvement is attributed to the formation of additional energy levels within the ZnO band gap due to the presence of Au ions. Experimental investigation of the breakdown of RhB dye under visible light irradiation revealed superior photocatalytic activity for the Au–ZnO (90:10) nanocomposite compared to both Au–ZnO (95:5) and pure ZnO and Au counterparts. Multiple experiments confirmed the effective photodegradation and removal of RhB dye from the aqueous medium using the nanocatalyst under visible light irradiation. Under optimal conditions (1.0 g·L−1 photocatalyst, 10 ppm RhB, and pH 10), 99% photodegradation efficiency was reached within 50 min of irradiation. Investigation of reactive species revealed that the increased effectiveness of photodegradation in Au–ZnO (90:10) stems from the presence of photogenerated holes and hydroxyl radicals. The study also analyzed the reaction kinetics and order, and the reusability of the best photocatalyst Au–ZnO (90:10)) was confirmed through five consecutive cycles, demonstrating its sustained effectiveness in photodegradation. These findings highlight the potential of Au–ZnO (90:10) nanocomposite as a promising material for photocatalytic degradation of organic dyes.

Investigation of hydrothermally-produced ZnO nanorods and the mechanisms of Li incorporation as a possible dopant

Zinc oxide (ZnO) has emerged as one of the most promising candidates for mass-producing cost-efficient optoelectronic devices. This is primarily because it can be synthesized in high-quality nanostructures on a wide range of substrates through relatively simple chemical methods. However, producing p-type ZnO, regardless of the chosen method, remains an open and controversial issue. In this work, Li-doped ZnO nanostructures of varying Li-cocnentration were produced via a two-step hydrothermal growth synthesis and an in-depth analysis based on with Field Emission Scanning Electron Microscopy (FE-SEM), X-ray diffraction (XRD), Raman Spectroscopy, Extended X-Ray Absorption Fine Structure (EXAFS) Spectroscopy, and temperature-dependent Photoluminescence (PL) was carried out in an effort to gain insights into the Li-incorporation mechanisms. The findings indicated a strong interplay between the native defects responsible for the inherent n-type character of the material and Li incorporation. It is suggested that this interplay hinders the successful conversion of the Li-doped nanorods into p-type nanostructures and that when employing the hydrothermal approach it is essential to identify the precise conditions necessary for genuine Li incorporation as a Zn substitutional.

Evaluation of biological activity for gadolinium-incorporated zinc oxide nanostructures via hydrothermal method

Evaluation of biological activity for gadolinium-incorporated zinc oxide nanostructures via hydrothermal method

Effect of Picosecond Laser Irradiation on the Properties of Nanostructured Zinc Oxide Thin Films

In this article, a picosecond laser source was employed to irradiate the nanostructured ZnO thin film prepared by the sol-gel method. The impact of laser irradiation on the characteristics of a nanostructured ZnO thin film was investigated. Analysis using X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy confirmed a significant influence on the structure of the ZnO thin film. As the duration of laser irradiation (the number of laser pulses) increased, there was a remarkable decrease in both the electronic and photoluminescence intensities of the nanostructured film. Tauc's plot indicates a noticeable change in the optical band gaps of the thin film with the increase in irradiation time. The morphological image suggests that the laser irradiation energy induces both degradation and modification of the film surface, consequently causing changes in the structural, absorption, and photoluminescence properties of nanostructured ZnO. The observed effects are attributed to alterations in the crystal structure and size of the nanostructured ZnO film, as confirmed by XRD. The reduction in photoluminescence intensity observed over the laser irradiation times may be a result of potential degradation in the crystalline structure of the nanostructured ZnO film.

Morphological, structural and electronic properties of zinc oxide nano structures deposited on ZnO substrate layer – A theoretical perspective

The work investigates the deposition of zinc and oxygen atoms on a Zinc terminated ZnO substrate, maintaining their stoichiometric ratio (O:Zn) at 0.8, under varying incident energies (0.5 eV and 5 eV) and temperatures (300 K and 700 K) using the ReaxFF potential in Molecular Dynamics (MD) simulation. The study explores the impact of deposition conditions on growth mechanisms, film morphology, and structural parameters such as Radial Distribution Function (RDF) and Coordination Number (CN). RDF analysis highlights disordered atomic arrangements and diverse bonding configurations within the film, with CN showing deviations from perfect crystalline ZnO, indicating non-uniform, non-crystalline, and nano behaviour. Post-heating the films to temperatures approaching the ZnO melting point results in enhanced crystallinity, as evidenced by distinct, dominant, and multiple RDF peaks. Density Functional Theory (DFT) approach of the deposited structures elucidates the formation of ZnO nanoclusters-(ZnO)3 and (ZnO)4 and investigates their electronic structure properties. DFT analysis of the post-heated films reveals the formation of ZnO monomers (ZnO), indicating an approaching crystalline behaviour, yet the films exhibit non-epitaxial and non-uniform characteristics. DFT calculations were instrumental in validating the observed structural behaviours in the deposited films. The study underscores the significance of stoichiometric ratio in film deposition and demonstrates the temperature-dependent evolution of structural properties towards crystallinity, shedding light on the intricate dynamics of ZnO film growth offering tailored control over film properties for enhanced performance in practical applications such as optoelectronics and gas sensing.

Comparative properties of ZnO modified Au/Fe nanocomposite: electronic, dynamic, and locator annealing investigation.

A computational representation was used to model the doping and nanomodification of ZnO nanoparticles incorporated in Au/Fe nanocomposite. Au/Fe nanostructure was geometrically and discussed to investigate its electronic properties such electronic band structure and PDOS spectra. Moreover, the ZnO interacted with Au/Fe system was illustrated concerning the modified properties present on the surface of the nanocomposite as it may behave different attribution of band gap evaluated after ZnO modification included. Molecular dynamic simulation of the whole nano system was studied to predict the system stability concerning temperature and energy parameters during 100 ps simulation time. The most effective models under investigation were evaluated using adsorption annealing computations associated with the adsorption energy surface. A highly stable energetic adsorption system was anticipated by the periodic adsorption-annealing calculation. Au and Fe pure metals nanostructures were studied as a separate molecule with (0 0 1) plane surface for optimum energy minimization. Dmol3 module in/materials studio software was utilized for this protocol. The designed Au/Fe layers for nanostructure building material was computationally optimized, where DFT level was considered involving generalized gradient approximation (GGA) with Perdew-Burke-Ernzerh (PBE) exchange functional. In the computations of the structure matrix simulation, the global orbital cutoff was selected. To address the weak quantification of the standard DFT functionals, Tkatchenko-Schefer (TS) (DFT + D) was utilized to precisely correct the pairwise dispersion of the functionals. The electrical parameters were interpreted using the reciprocal space of the ultrasoft pseudopotential representation. To overcome the issues of self-electron interaction, the nonlocal hybrid functional with PBE0 method was utilized to calculate the electronic properties of the studied systems. The computations generated are predicated on a particular trajectory of the gamma k-point band energy interpolations proposed in this examination. An investigation into the position of adsorption came after geometric optimization. Adsorbed on an optimized Au/Fe surface, ZnO nanostructure was computationally explored using the Dmol3 simulation software.

Piezoelectric Energy Harvester Technologies: Synthesis, Mechanisms, and Multifunctional Applications.

Piezoelectric energy harvesters have gained significant attention in recent years due to their ability to convert ambient mechanical vibrations into electrical energy, which opens up new possibilities for environmental monitoring, asset tracking, portable technologies and powering remote "Internet of Things (IoT)" nodes and sensors. This review explores various aspects of piezoelectric energy harvesters, discussing the structural designs and fabrication techniques including inorganic-based energy harvesters (i.e., piezoelectric ceramics and ZnO nanostructures) and organic-based energy harvesters (i.e., polyvinylidene difluoride (PVDF) and its copolymers). The factors affecting the performance and several strategies to improve the efficiency of devices have been also explored. In addition, this review also demonstrated the progress in flexible energy harvesters with integration of flexibility and stretchability for next-generation wearable technologies used for body motion and health monitoring devices. The applications of the above devices to harvest various forms of mechanical energy are explored, as well as the discussion on perspectives and challenges in this field.

Pleated stainless steel net supported polystyrene/zinc oxide sorbent stir bar for inspection of residual fipronil and its degradation products in chicken eggs

Residual fipronil and its degradation products in chicken eggs are crucial issues in food safety. A stir bar sorptive extractor was developed by employing a pleated stainless steel (SS) net covered with hydrothermal synthesized zinc oxide (ZnO) nanostructure and dip-coated polystyrene (PS) from plastic foam waste. The combination of a PS/ZnO/SS stir bar extraction followed by gas chromatography detection with an electron capture detector yields a highly feasible process for the inspection of residual fipronils in chicken eggs with a linear range of 0.10–150 μg kg−1 and detection limit of 0.07–0.41 μg kg−1 with high recoveries (87.0 ± 2.4 to 95.2 ± 2.5%) and good precision (2.1–9.6% RSDs). The developed PS/ZnO/SS stir bar could be reused up to nine times. Its main advantages are simplicity of preparation, low-cost materials, and efficient utilization of PS waste.