Trigonal Research Articles

Atomic Layer Deposition of Nickel Using Ni(dmamb)2 and ZnO Adhesion Layer Without Plasma

In this study, a novel deposition technique that utilizes diethylzinc (C4H10ZnO) with H2O to form a ZnO adhesion layer was proposed. This technique was followed by the deposition of vaporized nickel(II) 1-dimethylamino-2-methyl-2-butoxide (Ni(dmamb)2) and H2 gas to facilitate the deposit of uniform layers of nickel on the ZnO adhesion layer using atomic layer deposition. Deposition temperatures ranged from 220 to 300 °C. Thickness, composition, and crystallographic structure results were analyzed using spectroscopic ellipsometry, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD), respectively. An average growth rate of approximately 0.0105 angstroms per cycle at 260 °C was observed via ellipsometry. Uniform deposition of ZnO with less than 1% of Ni was displayed by utilizing the elemental analysis function via SEM, thereby providing high-quality images. XPS revealed ionizations consistent with nickel and ZnO through the kinetic and binding energies of each detected electron. XRD provided supplemental information regarding the validity of ZnO by exhibiting crystalline attributes, revealing the presence of its hexagonal wurtzite structure.

Strain-Controlled Electronic and Magnetic Properties of Janus Nitride MXene Monolayer MnCrNO2

Two-dimensional (2D) van der Waals (vdW) magnetic materials show potential for the advancement of high-density, energy-efficient electronic and spintronic applications in future memory and computation. Here, by using first-principles density functional theory (DFT) calculations, we predict a new 2D Janus nitride MXene MnCrNO2 monolayer. Our results suggest that the optimized MnCrNO2 monolayer possesses a hexagonal structure and exhibits good dynamical stability. The intrinsic monolayer MnCrNO2 exhibits semiconductive properties and adopts a ferromagnetic ground state with an out-of-plane easy axis. It can sustain strain effects within a wide range of strains from −10% to +8%, as indicated by the phonon dispersion spectra. Under the biaxial tensile strain, a remarkable decrease in the bandgap of the MnCrNO2 is induced, which is attributed to the distinct roles played by Mn and Cr in the VBM or CBM bands. Furthermore, when the compressive strain reaches approximately −8%, the magnetic anisotropy undergoes a transition from an out-of-plane easy axis to an in-plane easy axis. This change is mainly influenced by the efficient hybridization of the d orbitals, particularly in Mn atoms. Our study of the Janus MXene MnCrNO2 monolayer indicates its potential as a promising candidate for innovative electronic and spintronic devices; this potential is expected to create interest in its synthesis.

Ultrasensitive Detection of Dimethylamine Gas for Early Diagnosis of Parkinson's Disease Using CeO2-Coated Ti3C2Tx MXene/Carbon Nanofibers.

Parkinson's disease is a prevalent neurological disorder, with dimethylamine (DMA) recognized as a crucial breath biomarker, particularly at the parts per billion (ppb) level. Detecting DMA gas at this level, especially at room temperature and high humidity, remains a formidable challenge. This study presents an ultrasensitive chemiresistor DMA gas sensor, leveraging the CeO2-coated Ti3C2Tx MXene/carbon nanofiber (CeO2/MXene/C NFs) heterostructure to enhance dimethylamine sensing. The high conductivity of MXene, combined with C-Ti-O bonds and a sp2 hybridized hexagonal carbon structure, increases surface active sites. The presence of Ce3+ promotes the formation of surface-active oxygen species, while the MXene-CeO2 heterojunction broadens the electron depletion layer. Theoretical calculations reveal that the highest adsorption energy for DMA gas is at the Ce top site, explaining the sensor's satisfactory sensitivity, rapid response and recovery process, low detection limit (5 ppb), and high selectivity at room temperature. The Ce3+/Ce4+ dynamic self-refresh mechanism, involving surface hydroxyl elimination, enhances the sensor's performance under high-humid conditions. Clinical breath tests demonstrate the sensor's ability to distinguish between healthy individuals and Parkinson's disease patients, paving the way for developing next-generation sensors for early diagnosis of neurological disorders.

Insight into the Structural and Magnetic Properties of PrZnSi and NdZnSi Compounds Featuring Large Low-Temperature Magnetocaloric Effects.

The magnetocaloric (MC) and magnetic phase transition (MPT) properties in various types of rare earth (RE)-based magnetic materials have been intensively investigated recently, which are aimed at developing suitable MC materials for low-temperature cooling applications and better elucidating their inherent physical properties. We herein provide a combined experimental and theoretical investigation into two new light RE-based magnetic materials, namely, PrZnSi and NdZnSi compounds, regarding their structural, magnetic, MPT, and low-temperature MC properties. Both of these compounds crystallize in an AlB2-type hexagonal structure with a symmetry of the crystallographic space group P6/mmm and reveal a typical second-order-type MPT with ordering temperatures (TC) at approximately 13.5 and 18.5 K for PrZnSi and NdZnSi compounds, respectively. Moreover, they all exhibit large reversible low-temperature MC effects and remarkable performances, which are identified by the parameters of maximum magnetic entropy changes, relative cooling power, and temperature-averaged entropy change (temperature lift 5 K). The deduced values of these MC parameters under a magnetic field change of 0-7 T reach 16.3 J/kgK, 294.46 J/kg, and 15.79 J/kgK for PrZnSi and 15.4 J/kgK, 284.84 J/kg, and 14.95 J/kgK for NdZnSi, respectively, which are evidently better than those of most updated light RE-based magnetic materials with remarkable low-temperature MC performances, indicating that PrZnSi and NdZnSi compounds hold potentials for practical cooling applications.

Cryogenic temperatures promote the pressure-induced polymorphic transition in CoCrFeMnNi high entropy alloy

Pressure-induced polymorphism has recently been demonstrated in several high entropy alloys. This offers a new window into the much-debated issue of phase selection and stability in these systems. Here, we examine the effect of cryogenic temperatures on the pressure-induced transition from face centered cubic to hexagonal close-packed structures of the prototype CoCrFeMnNi (Cantor) alloy. We observe a reduction in the critical pressure for the onset of the polymorphic transition as the temperature decreases, confirming the progressive stabilization of the hexagonal phase with decreasing temperature previously predicted by ab initio calculations accounting for magnetic interactions. We argue that in situ high-pressure experiments at cryogenic temperatures, which suppress time-dependent transformation triggered at higher temperatures, present a unique opportunity to significantly improve our understanding of these complex alloys.

Using the Plasma Jet Method to Create Zinc Nanoparticles and Study Their Structural and Optical Properties as an NH3 Gas Sensor

In this work, zinc nanoparticles were prepared using the low-temperature plasma method at different times 3 min, 5 min, 7 min, 9 min, where the initial reactions of zinc lead to the formation of nanoparticles. The metal interacts with the ionized plasma under different conditions and may turn into an oxide such as exposing the sample to air and raising the temperature of the solution a few degrees as a result of high voltage and within a certain range. The atmospheric pressure plasma system acts as the cathode, while the zinc metal strip acts as the anode. A series of techniques were used, including the use of X-ray diffraction (XRD), ultraviolet-visible spectroscopy and scanning electron microscopy (FESEM). The X-ray diffraction results showed that the samples have polycrystalline structures with hexagonal and cubic structures with a time difference, and the X-ray diffraction results showed the conversion of zinc particles into zinc oxides. FESEM images reveal particle size and shape. The ZnO nanoparticles prepared by the mentioned method seem to form different nanoshapes such as starfish and mushroom nanoparticles. The UV-visible results showed that the samples had an energy gap of about 3.4 eV at a time of 3 min, and this value decreases with increasing reaction time. The appearance of zinc oxides increases gradually with the passage of time. These results provide credibility for the fabrication of ZnO nanostructures for use in future gas sensing applications, despite the inhomogeneity of particle size among ZnO particles, the sensor was also fabricated to detect nitrogen gas (NH3) with different concentrations (17.25 ppm, 46.38 ppm, 78.58 ppm). at room temperature. The ZnO sample showed the highest sensitivity (88.1%) at 7 min. The sensitivity showed different results and increased with reaction time and gas concentration. However, response and recovery time are moderate and decrease as reaction time increases.

From disorder to order: A dynamic approach to mesophase formation in soft sphere model.

This study explores the dynamics of self-assembly and mesophase formation through molecular dynamics simulations of hexagonal and lamellar systems using a simplified coarse-grained model. We focus on characterizing the order-disorder transitions driven by temperature variations and emphasize the often overlooked disordered regime, which serves as a precursor to periodic mesoscale ordering. Our findings not only underscore the morphological richness of the disordered regime, comparable to that of its periodic counterparts, but also reveal the presence of clustering regimes within isotropic phases, thus corroborating prior experimental and theoretical observations. By employing the dynamic correlation coefficient, this work introduces a novel approach to understanding the fundamental mechanisms of mesophase formation, providing new insights into the complex dynamics of self-assembly.

Pressure-tuning of α-RuCl3 towards a quantum spin liquid

The layered material α-RuCl3 is a promising candidate to realize the Kitaev quantum spin liquid (QSL) state. However, at ambient pressure, deviations from the perfect Kitaev geometry prevent the existence of the QSL state at low temperatures. Here we present the discovery of a pressure-induced high-symmetry phase in α-RuCl3, which creates close to ideal conditions for the emergence of a QSL. Employing a novel approach based on Bragg and diffuse scattering of synchrotron radiation, we reveal a pressure-induced reorganization of the RuCl3-layers. Most importantly, this reorganization affects the structure of the layers themselves, which acquire a high trigonal symmetry. For this trigonal phase the largest ratio between the Kitaev (K) and the Heisenberg exchange (J) ever encountered is found: K/J = 124. Additionally, we demonstrate that this phase can also be stabilized by a slight biaxial pressure. This not only resolves the conflicting reports of low-temperature structures in the literature, but also facilitates the investigation of the high-symmetry phase and its potential QSL using a range of experimental techniques.

Effects of Gd on the microstructure and mechanical properties of GdxCoCrFeNiV0.4 high-entropy alloys

This study investigated the microstructure and mechanical properties of GdxCoCrFeNiV0.4 alloys. Various techniques such as XRD, SEM, EBSD, and TEM were utilized, alongside hardness and compression tests at room temperature. The findings revealed that the high-entropy alloy without Gd element exhibited a single face-centered cubic (FCC) phase. Upon the introduction of Gd element, the phase composition shifted to FCC + hexagonal structure (HS) phases, and further addition of Gd resulted in the presence of FCC + HS + body-centered cubic (BCC) phases. Additionally, the inclusion of Gd element led to the precipitation of Gd-rich particles within the alloy. The Vickers hardness test results revealed a significant increase in alloy hardness as the Gd content rose, from 177.5 HV for Gd0 to 848.4 HV for Gd0.4. This suggests that the presence of the HS phase and BCC phase notably influences alloy hardness. Furthermore, compressive test outcomes demonstrated that the alloy's yield strength rose from 173.74 MPa for Gd0 to 1356.17 MPa for Gd0.3 with increasing Gd content. However, the excessive addition of Gd elements results in significant precipitation of V and Cr elements, leading to grain coarsening, adversely affecting its mechanical properties. The high strength of Gd-containing high-entropy alloys can be attributed to various strengthening mechanisms, such as solid solution strengthening, the presence of the HS phase, the precipitation of a small number of Gd-rich particles, and the grain refinement caused by the addition of Gd.

Developing a novel calcium silver zeolite for caries management

ObjectiveTo develop a novel calcium silver zeolite (Ca-Ag-Zeo) and assess its biocompatibility, physiochemical properties and antimicrobial effects.MethodsCa-Ag-Zeo was synthesized using ion-exchange method with calcium chloride, silver nitrate and Zeolite X (Zeo). Silver zeolite X (Ag-Zeo) and Zeo were set as control. The chemical structure, morphology, crystal structure and elemental composition of Ca-Ag-Zeo was characterized by X-ray diffraction spectrum, scanning electron microscopy, transmission electron microscopy and energy dispersive spectroscopy, respectively. Its biocompatibility on the human gingival fibroblasts was assessed by cell counting kit-8 assay. Its physiochemical properties were determined by the released calcium and silver ion using Inductive Coupled Plasma Emission Spectrometry for up to 12 weeks. The antimicrobial properties on Streptococcus mutans, Lactobacillus acidophilus, Lactobacillus casei, and Candida albicans were assessed by minimum bactericidal concentration (MBC) or minimum fungicidal concentration (MFC) assay.ResultsCa-Ag-Zeo with a hexagonal cage structure was synthesized. As for biocompatibility, the half-maximal inhibitory concentration (± SD in mg/mL) of Ca-Ag-Zeo, Ag-Zeo and Zeo in human gingival fibroblasts were 0.52 ± 0.05, 0.15 ± 0.01 and 3.35 ± 0.58, respectively (Zeo > Ca-Ag-Zeo > Ag-Zeo; p < 0.05). As for physiochemical properties, the accumulated ion release (± SD in mg) of Ca-Ag-Zeo, Ag-Zeo and Zeo were 0.011 ± 0.003, 0 and 0 for calcium ion, respectively (Ca-Ag-Zeo > Ag-Zeo, Zeo; p < 0.001), and 0.213 ± 0.032, 0.209 ± 0.019 and 0 for silver ion, respectively (Ca-Ag-Zeo, Ag-Zeo > Zeo; p < 0.001). As for anti-microbial ability, the MBC/MFC (mg/mL) of Ca-Ag-Zeo, Ag-Zeo and Zeo were 32, 16 and > 256 against Streptococcus mutans; 32, 16, > 256 against Lactobacillus acidophilus; 16, 16, and 256 against Lactobacillus casei; 0.25, 0.125; and 2, 1, > 256 against Candida albicans, respectively.ConclusionA novel Ca-Ag-Zeo was developed. It presented better biocompatibility compared to Ag-Zeo. It released calcium and silver ions sustainably, and it could inhibit the growth of common cariogenic microorganisms.

High-pressure synthesis, structure and physical properties of two quasi-one-dimensional compounds Ba9Nb2.54Te15 and Ba9Ta1.89Te15

Two quasi-one-dimensional compounds Ba9Nb2.54Te15 and Ba9Ta1.89Te15 were synthesized under high pressure and high temperature conditions and systematically characterized by structural, transport and magnetic measurements. Both the two compounds crystallize into a hexagonal structure with the space group P-6c2 (No. 188). The structure consists of trimeric face-sharing octahedral Nb/TaTe6 chains separated by a large distance (>10 Å), thus presenting a strong one-dimensional crystal structure. The transport properties suggest that both the two compounds are semiconductors with a band gap ∼ 0.15 eV for Ba9Nb2.54Te15 and ∼ 0.22 eV for Ba9Ta1.89Te15. Magnetic properties characterization indicates that Ba9Nb2.54Te15 displays no long-range-order above 2 K, but with an effective moment μeff ∼ 1.8 μB/f.u., while Ba9Ta1.89Te15 exhibits a diamagnetic behavior. Our results demonstrate that, in the sequence of Ba9V3Te15, Ba9Nb2.54Te15 and Ba9Ta1.89Te15, the occupation in the transition metal sites decreases, the semiconducting band gap increases, and the magnetism changes from ferromagnetism to diamagnetism.

Revelation of the high surface insulation performance of the electron-delocalized group through molecule self-assembly on alumina insulator

Surface modification of vacuum insulators is a promising way to improve their surface insulation performance but commonly used surface modification technologies in surface insulation area such as fluorination and plasmas treatment are unable to control the surface chemical components at the molecular level, which makes it hard to explore molecular groups with high surface insulation performance. In this paper, molecule self-assembly is introduced to control the surface molecular structure precisely and vacuum surface insulation performance of a special molecular structure electron-delocalized group is studied. Hexagonal phenyl group containing delocalized electrons and cyclohexyl group with the same hexagonal molecular structure but without delocalized electrons are grafted onto the surface of alumina insulators through molecule self-assembly. Secondary electron emission yield test shows that phenyl group endows alumina insulators lower SEY than cyclohexyl group. Correspondingly, phenyl group grafted alumina insulators show higher surface insulation performance than cyclohexyl group. The results indicate that group containing delocalized electrons can endow insulators higher surface insulation characteristics.

Synthesis and characterization of fluorescent carbon dots obtained from citrus x sinensis by an eco-friendly method

The synthesis and characterization of fluorescent carbon dots (CDs) obtained by an environmentally friendly method through carbonization, fragmentation and centrifugation of orange peel (citrus x sinensis) are reported. By thermogravimetry, 4 degradation regions associated with hemicellulose, lignin and organic matter were found. The SEM micrograph shows a rough surface morphology with flakes and granulation due to the carbonization process. X-ray diffraction (XRD) shows a hexagonal crystalline structure associated with graphitic carbon, which was confirmed by Raman scatterings, Raman spectroscopy that presented two main vibrational bands, D and G, associated with active defects in the graphitic carbon crystalline structure. The Transmission electron microscopy (TEM) micrograph showed CDs of size 33.65 ± 0.68n, and with High-Resolution TEM (HRTEM) an interplanar distance of 0.213 nm in the direction of the crystal planes (100) of graphitic carbon was obtained, which were confirmed by XRD and Raman spectroscopy. X-ray photoelectron spectroscopy revealed the relative atomic composition and identified the strongest photoelectron transitions of carbon, sp2 (286 eV) and sp3 (285 eV), in graphitic carbon. Ultraviolet–visible (UV–Vis) spectroscopy of the CDs obtained from fragmentation graphitic carbon showed a band at 205 nm associated with CC bonds π-π* of CC and n-π*, as well as two bands at 276 and 328 nm associated with bond transitions. The Fourier Transform Infrared (FTIR) spectrum showed bands associated with CHs bonds as well as CC, CN bonds of the CDs. Fluorescence spectroscopy showed three emission bands at 2.43, 2.54 and 2.87 eV. The CDs showed the emission of the characteristic blue colour.

Interpenetrated Donor-Acceptor Heterojunctions in 2D Conjugated Dibenzo[g,p]chrysene-Based Kagome Covalent Organic Frameworks.

Dibenzo[g,p]chrysene can be viewed as a constrained propeller-shaped tetraphenylethylene with reduced curvature and has been utilized to construct dual-pore kagome covalent organic frameworks (COFs) with tightly packed two-dimensional (2D) layers owing to its rigid and more planar structural characteristics. Here, we introduce 2D COFs based on the node 4,4',4″,4‴-(dibenzo[g,p]chrysene-2,7,10,15-tetraphenyl)tetraamine (DBCTPTA) featuring extended conjugation compared to the dibenzo[g,p]chrysene-3,6,11,14-tetraamine (DBCTA) node. We establish two exceptionally crystalline imine-linked 2D COFs with a hexagonal dual-pore kagome structure based on the DBCTPTA core. The newly synthesized thienothiophene (TT) and benzodithiophene (BDT)-based DBCTPTA COFs show a tight stacking behavior between adjacent layers. Furthermore, we obtained an unprecedented, interpenetrated electron-donor/acceptor host-guest system with an electron-donating BDT DBCTPTA COF synthesized in situ with the soluble fullerene derivative [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) serving as molecular acceptor. The BDT DBCTPTA COF@PCBM film shows a much shorter amplitude-averaged PL lifetime of 7 ± 2 ps compared to 30 ± 4 ps of the BDT DBCTPTA COF film, indicating the light-induced charge transfer process. The successful in situ formation of interpenetrated donor-acceptor heterojunctions within 2D COFs offers a promising strategy for establishing D-A heterojunctions in diverse framework materials with open channel systems.

Efficient photocatalytic degradation of crystal violet dye using time-dependent ZnO nano spindle

Photocatalysis, utilizing metal–semiconductor oxides, has emerged as a promising technique for the oxidation of organic molecules due to its efficiency, cost-effectiveness, and eco-friendly nature. This study presents the synthesis and application of time-dependent ZnO nano spindles for the efficient photocatalytic degradation of crystal violet dye. ZnO nanostructures, known for their high photocatalytic activity, were synthesized using a simple and low-cost coprecipitation method, with the spindle morphology being fine-tuned by varying reaction times. The resulting nano spindles were characterized using X-ray diffraction (XRD), Fourier transmission infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), and UV–vis spectroscopy to confirm their structural, morphological, and optical properties. XRD analysis revealed that the ZnO samples possess a hexagonal wurtzite crystal structure with a space group of P63mc. SEM analysis confirmed the formation of spindle-like morphologies, with the synthesized samples measuring just a few nanometers in size. The surface area and porosity of the ZnO samples have been observed by using the Brunauer–Emmett–Teller (BET) analysis. The obtained surface area of all ZnO samples is in the range of 15 to 30 m2g−1. Photocatalytic performance was evaluated under UV light irradiation, demonstrating that the degradation efficiency of CV dye significantly depends on the exposure duration and the morphological attributes of the ZnO nano spindles. The degradation kinetics followed a pseudo-first-order model, with the optimized ZnO nano spindles achieving up to 99 % degradation efficiency within 150 min. This study highlights the potential of time-dependent morphological control in ZnO nanostructures to enhance photocatalytic processes, presenting a viable solution for the treatment of dye-laden wastewater.

Structural and Magnetic Properties of B-Site-Ordered RE2CuTiO6 (RE = Dy, Ho, and Er) Double-Perovskite Oxides with Significant Cryogenic Magnetocaloric Performance.

The magnetocaloric effect (MCE) is currently intensively investigated in various rare earths (RE)-containing magnetic solids, not only for developing appropriate magnetocaloric materials (MCMs) for cryogenic magnetic cooling but also for deepening our understanding into the inherent physical properties of these materials. Here, we provide a systematic experimental investigation into a series of new RE2CuTiO6 (RE = Dy, Ho, Er) double-perovskite (DP) oxides regarding the structural and magnetic properties, especially for their cryogenic MCE and magnetic-phase transition (MPT). All of these RE2CuTiO6 oxides crystallize in a B-site-ordered hexagonal DP-type structure with the symmetry of the crystallographic space group P6̅m2. These DP oxides exhibit magnetic ordering, with MPT temperatures of approximately 2.7, 2.2, and 2.7 K for Dy2CuTiO6, Ho2CuTiO6, and Er2CuTiO6, respectively. The magnetocaloric performances of the RE2CuTiO6 DP oxides were characterized by the peak values of magnetic entropy change, the temperature-averaged magnetic entropy change (5K-lift), and relative cooling powers. These magnetocaloric parameters were deduced to be 18.7/17.9 J/kgK and 298.2 J/kg for Dy2CuTiO6, 12.5/12.2 J/kgK and 273.9 J/kg for Ho2CuTiO6, and 13.8/12.9 J/kgK and 188.4 J/kg for Er2CuTiO6 under a magnetic field change of 0-5 T. These values are comparable to those of most reported RE-containing magnetocaloric materials, indicating that these RE2CuTiO6 DP oxides are promising candidates for cryogenic magnetic cooling applications.

A novel approach to obtain superior microwave absorption using Non-Conducting polymer jacket coated Multi-Layer Hexaferrite-TMDC nanocomposite film

This article represents the imposing electromagnetic interference (EMI) shielding behaviour of non-conducting polymer jacket-coated Co2Y-hexaferrite-MoS2 binary nanofillers incorporated PVDF multi-layer nanocomposite films. The presence of Co2Y-hexaferrite inside PVDF enhanced the magnetic permeability, whereas the incorporation of semiconducting transition metal dichalcogenide (TMDC), MoS2, inside the PVDF matrix improves the polarization effects of the nanocomposite films. The crystalline phases corresponding to Co2Y-hexaferrite, MoS2 nanoparticles and the multi-phase nanocomposite films have been justified using XRD analysis and Rietveld refinement study. FESEM micrographs confirm the hexagonal and cotton-ball structures of Co2Y-hexaferrite and MoS2 nanoparticles, respectively; in addition, the presence of Co2Y-MoS2 binary nanofillers inside the PVDF matrix has been confirmed. The stability of the nanocomposite films against electrical breakdown is clearly demonstrated by the minimum leakage current observed at 90 kV/m under J-E characteristics. The room temperature maximum magnetization of 33.32 emu/g of Co2Y-hexaferrite at an external magnetic field of 50,000 Oe helps in incurring magnetic losses and the corresponding improvement of shielding effectiveness due to absorption (SEA) of the nanocomposite films. This article demonstrates the modulation of SEA of the nanocomposite films depending on both the binary nanofillers loading percentage inside PVDF and the thickness of the nanocomposite films. Also, a unique mechanism corresponding to the coating of a non-conducting polymer jacket over a multi-layer structure has been opted herein to improve SEA in the frequency range of 12–18 GHz. This unique mechanism demonstrates that the maximum SEA for the non-conducting polymer jacket-coated multi-layer nanocomposite film is −51.23 dB at 14.03 GHz, and the corresponding total shielding effectiveness (SET) is −74.51 dB at 13.23 GHz, along with > 99.9999 % attenuation.

Entropy and Negative Specific Heat of Doped Graphene: Topological Phase Transitions and Nernst’s Theorem Revisited

This study explores the thermodynamic properties of doped graphene using an adapted electronic spectrum. We employed the one-electron tight-binding model to describe the hexagonal lattice structure. The dispersion relation for graphene is expressed in terms of the hopping energies using a compositional parameter that characterizes the different dopant atoms in the lattice. The focus of the investigation is on the impact of the compositions, specifically the presence of dopant atoms, on the energy spectrum, entropy, temperature, and specific heat of graphene. The numerical and analytical results reveal distinct thermodynamic behaviors influenced by the dopant composition, including topological transitions, inflection points in entropy, and specific heat divergences. In addition, the use of Boltzmann entropy and the revision of Nernst’s theorem for doped graphene are introduced as novel aspects.

Superior photocatalytic degradation of pharmaceuticals and antimicrobial Features of iron-doped zinc oxide sub-microparticles synthesized via laser-assisted chemical bath technique

Addressing the dual challenges of antimicrobial resistance and pharmaceutical contamination in wastewater is crucial for global health and environmental preservation. Predictions estimate up to 10 million annual deaths by 2050 due to antimicrobial resistance, underscoring the urgent need for innovative solutions. This study explores the potential of zinc oxide Sub-Microparticles (ZnO SMPs) doped with iron (Fe) to enhance the photocatalytic degradation of pharmaceutical compounds in water and improve antimicrobial efficacy. A green laser-assisted chemical bath synthesis method created ZnO SMPs with varying Fe dopant concentrations (1 %, 1.5 %, and 3 %). The synthesized Sub-Microparticles underwent rigorous structural analysis using X-ray diffractometry, SEM, EDX, FTIR, and UV–visible spectrophotometry techniques. Their photocatalytic performance was evaluated in the degradation of paracetamol under blue laser light, and their antimicrobial properties were assessed following CLSI guidelines. Structural analyses confirmed the hexagonal wurtzite structure of ZnO SMPs, with noticeable changes due to Fe doping, including a transition from sub-microrods to sub-microsheets and a redshift in the optical band gap. Photocatalytic tests revealed a significant enhancement in paracetamol degradation efficiency, increasing from 53.41 % with pure ZnO to 98.99 % with 3 % Fe-doped ZnO in 50 min. Antimicrobial assays demonstrated an increased inhibitory effect against pathogens, with Fe-doped ZnO outperforming control discs. This study substantiates the potential of Fe-doped ZnO SMPs in wastewater treatment and antimicrobial applications, showcasing significant improvements in photocatalytic degradation of pharmaceutical compounds and antimicrobial efficacy. The findings underscore the importance of continuing research in this domain for environmental and public health benefits.

Management of trihalomethanes in water by ZnO–kaolinite composite: an integrated experimental and modeling studies

ABSTRACT The adsorption of trihalomethanes (THMs) from drinking water was investigated in the current study through comparison studies of kaolinite and ZnO@kaolinite nanocomposites. The clay structural network's successful immobilization on the zincite hexagonal structure of ZnO nanoparticles’ lattice layers was verified by the SEM/EDX analysis. Under the optimum conditions, the maximum removal of THMs was achieved by kaolinite and ZnO@kaolinite nanocomposites after 60 min. The adsorption performance of the ZnO@kaolinite nanocomposites was greater than that of kaolinite because the first had a larger surface area than the latter. The Freundlich isotherm model best matched the adsorption experimental data, which also reveals the existence of multilayer adsorption on a diverse surface with the greatest correlation (R2 = 0.956 and 0.954, respectively) for both nanoadsorbents using the pseudo-first-order (PFO), pseudo-second-order (PSO), mixed 1, 2-order (MFSO), and intraparticle diffusion (IPD) models. The mechanism by which THMs in drinking water adsorb onto nanoadsorbents was examined. This revealed that both intraparticle and film diffusion were involved in the adsorption process. Kaolinite and ZnO@kaolinite nanocomposites can be used in water treatment to remove THMs due to their great recyclable and reusable properties, even after six cycles.