Search Results (595)

The pure and xDy³⁺-doped SrMoO₄ series (x = 0.5, 1.0, 1.5 and 2.0 at.%) were synthesized using a direct mechanochemical route. We found that a milling speed of 850 rpm and a milling time of 30 min result in a complete chemical reaction at different concentrations of dopant ions. The phase formation, structural units, and optical properties of the obtained samples were investigated by XRD, IR, UV-Vis and PL analyses. It has been established that Dy₂O₃ mainly influences the lattice parameters, unit cell volumes, crystallite sizes, and microstrains. The symmetry of MoO₄ groups was investigated using IR spectroscopy, and it showed that pure and Dy³⁺-doped SrMoO₄ samples are built up of deformed structural units. The calculated optical band gap of the obtained crystal phases decreases with increasing concentrations of Dy³⁺ ions. The host SrMoO₄ matrix shows broad blue emission centered at 430 nm under an excitation wavelength of 230 nm. All doped samples display a strong yellow emission at 570 nm, belonging to the ⁴F_9/2 → ⁶H_13/2 transition of Dy³⁺ ions. The highest luminescence intensity was observed when the concentration of the Dy³⁺ ion was 0.5 at.%. The mechanism of concentration quenching was mainly caused by the electric dipole–dipole interaction. The calculated CIE chromaticity coordinates of the doped samples fall in the yellow range. This study demonstrates that mechanochemical treatment is an appropriate route for the fast preparation of yellow phosphors. Full article

Zinc–antimony–boro–germanate glasses highly doped with Sm₂O₃ were synthesized by the conventional melt-quenching method. Their structural, optical, and luminescent properties were systematically investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), diffuse reflectance UV–Vis (DR-UV–Vis), and photoluminescence (PL) spectroscopy. XRD analysis confirmed the amorphous nature of all prepared samples. XPS measurements were used to examine the surface chemical composition of the Sm₂O₃-doped glasses, with particular focus on verifying samarium incorporation and identifying its oxidation state after synthesis, since Sm ions act as the luminescent centers in these materials. For the sample containing the highest Sm₂O₃ concentration, the DR-UV–Vis spectrum exhibited ten absorption bands assigned to intra 4f electronic transitions. Based on these data, the nephelauxetic and bonding parameters were determined, indicating that increasing Sm₂O₃ content enhances the ionic character of the bonds within the glass network. PL spectra revealed three characteristic emission bands associated with Sm³⁺ luminescent centers. The emission intensity reached a maximum at 3 mol% Sm₂O₃, while further increases in samarium content led to luminescence quenching. The most intense emission band was in the yellow–orange region of the visible spectrum, highlighting the potential of these materials for yellow–orange-emitting solid-state laser applications. The excitation spectra show that the optical response is strongly dependent on concentration, with a sample doped with 3 mol% Sm₂O₃ exhibiting the highest excitation efficiency. The dominant excitation band centered near 402 nm, together with weaker bands in the blue region, indicating that these glasses are promising candidates for near-UV-pumped orange-emitting photonic devices. Full article

Yellow and pink calcite samples from the Huanggangliang and Xilingol mining areas in Inner Mongolia were investigated to elucidate the relationships among chemical composition, unit-cell parameters, coloration, and luminescence. Electron probe micro-analysis, laser ablation inductively coupled plasma mass spectrometry, X-ray diffraction, infrared spectroscopy, Raman spectroscopy, UV-Vis absorption spectroscopy, and photoluminescence measurements show that samples of yellow and pink calcite differ significantly in impurity incorporation and optical behavior. Yellow calcite is relatively enriched in Mg and rare earth elements, especially Y and Ce, whereas pink calcite contains markedly higher Mn and Fe contents. The pink calcite has smaller lattice parameters and unit-cell volume, consistent with greater substitution of Ca²⁺ by smaller-radius cations. Spectra reveal that the pink coloration is mainly related to Mn-associated absorption bands at 402 and 527 nm, whereas the yellow color is attributed to weak impurity- and defect-related absorption. Under ultraviolet excitation, yellow calcite exhibits a broad blue–white emission centered at ~470 nm, whereas pink calcite shows an intense orange–red emission near 625 nm characteristic of Mn²⁺. Variable-temperature photoluminescence further demonstrates that the pink calcite has higher thermal stability, with a thermal-quenching activation energy of 0.218 eV, compared with 0.074 eV for the yellow calcite. These results demonstrate that trace element incorporation plays a key role in regulating the coloration and luminescence of calcite and provide useful insight into the optical behavior of carbonate minerals. Full article

This work presents an energy-efficient and simple method for producing luminescent, antibacterial sulfur quantum dots (SQDs). For the first time, polyethyleneimine (PEI)-coated SQDs were synthesized via a mechanochemical technique, utilizing either elemental sulfur or sodium thiosulfate as the sulfur source. The roles of hydrogen peroxide (H₂O₂) as an etching agent and of sodium hydroxide (NaOH) in the PEI-mediated SQD formation were investigated. The as-synthesized SQDs were characterized by UV-visible, Raman, infrared (IR), and photoluminescence (PL) spectroscopy, as well as by transmission electron microscopy (TEM) and atomic force microscopy (AFM). Both TEM and AFM analyses revealed similarly small SQD sizes (average diameter ~3 nm), independent of the sulfur source used. The influence of synthesis conditions on the optical properties, including the photoluminescence quantum yield (QY), was evaluated. SQDs derived from elemental sulfur, PEI, and NaOH exhibited the best water solubility and the strongest photoemission in the 400–550 nm range. Antibacterial activity was assessed against representative Gram-positive and Gram-negative strains, and minimum inhibitory concentration (MIC) values were determined. The PEI-coated SQDs demonstrated antibacterial activity against the Gram-positive bacteria Bacillus subtilis, Staphylococcus aureus, and Staphylococcus epidermidis, which is attributed primarily to the sulfur component. Full article

The photophysical processes and photochemical reactions of 1,4-di(azastyryl)benzene (1) derivative {[(E,E)-1](ClO₄)₂} were investigated by absorption, luminescence, and laser kinetic spectroscopy in the water solution. The observed photo processes include dimerization, E-Z isomerization, and intersystem crossing to the triplet state, as well as the complexation [(E,E)-1](ClO₄)₂ with cucurbit[7]uril (CB[7]). The [(E,E)-1](ClO₄)₂ dye dimerization was shown to be energetically more favorable in the excited state than in the ground state. The reversible photoinduced migration of the dye dication in the CB[7] cavity takes place as a result of partial exit of the [(E,E)-1]²⁺ from the cavity and its subsequent conversion to the (E,Z)-isomer in the excited state, which undergoes conversion to the initial complex of {[(E,E)-1]@CB[7]}²⁺ after returning to the ground state. This photoprocess is of interest in relation to the scientific problem of designing photocontrolled supramolecular machines. Full article

Two Zn(II) coordination compounds based on glaucine-derived Schiff bases were synthesized and investigated as potential materials for dye-sensitized solar cells (DSSCs). The structures of all compounds were established by X-ray diffraction analysis and quantum chemical modeling (DFT/TD-DFT). Their photophysical properties (absorption and luminescence spectra in solution and the solid state), electrochemical characteristics, and photovoltaic parameters in DSSC devices were studied. The highest power conversion efficiency (PCE ~5.18%) was demonstrated by the free ligands, which is attributed to their favorable absorption spectrum and optimal alignment of energy levels relative to the conduction band of TiO₂ and the redox couple of the electrolyte. The Zn(II) coordination compounds exhibited significantly lower efficiency (~2.1%). Impedance spectroscopy results indicated more efficient charge transfer at the TiO₂/dye/electrolyte interface for the organic derivatives. Full article

This study investigates the synthesis, characterization, antimicrobial performance, and redox activity of sol–gel–derived TiO₂/TeO₂/CuO powders. The as-prepared gel with the nominal composition 80TiO₂/10TeO₂/10CuO was subjected to thermal treatment at 400 °C and 600 °C for 2 h, resulting in the formation of composite materials at both temperatures. By UV-Vis spectroscopy, it has been found that CuO is responsible for the red shifting of the absorption edge. The SEM-EDS analysis verified the elemental composition of the synthesized powders. The antimicrobial activity of the heat-treated powders was proved against Escherichia coli ATCC 25922 and Staphylococcus aureus ATCC 25923, representative Gram-negative and Gram-positive bacteria frequently associated with hospital-acquired infections and antibiotic resistance. At physiological pH, the 600 °C-treated sample exhibited strong prooxidant properties, supporting antimicrobial activity. At alkaline conditions, the nanomaterials were effective against superoxide radicals. The variation in oxidation with changes in pH is indicative of the potential for controlled application. Antimicrobial activity was assessed through minimum inhibitory concentration (MIC) assays and spot and luminescent tests, providing both quantitative and qualitative evaluations. Full article

Zinc oxide (ZnO) and zinc sulfide (ZnS) nanocomposites represent promising multifunctional photocatalysts due to their complementary band structures and synergistic charge separation. ZnO–ZnS nanocomposites with varied ZnS content were synthesized to elucidate the composition–structure–property relationships governing their multifunctional performance. Structural characterization using XRD, SEM/EDS, Raman spectroscopy, and XPS confirmed the coexistence of wurtzite crystalline phases of ZnO and ZnS. SEM analysis revealed ZnS fine deposition on the ZnO surface. XPS measurements showed a gradual increase in the amount of ZnS on the ZnO surface with increasing sulfide content and a shift in the valence band maximum from 2.32 eV (pure ZnO) to 0.77 eV (pure ZnS). Optical measurements (IR, UV–Vis diffuse reflectance, photoluminescence) demonstrated that, despite the evolution of vibrational and luminescence features characteristic of ZnS, the apparent band gap remained nearly constant at 3.16–3.18 eV across the series. Photocatalytic methylene blue (MB) degradation followed pseudo-first-order kinetics, peaking for ZN_2 (1% ZnS, k_app = 103 × 10⁻³ min⁻¹), which is 1.7 times higher than for pure ZnO. This enhanced performance is consistent with an S-scheme-like heterojunction that facilitates electron migration to the ZnS conduction band while retaining ZnO valence band holes for oxidation. Scavenging experiments confirmed that electrons dominate MB degradation (k_app up to 185.1 × 10⁻³ min⁻¹ with EDTA/t-BuOH/Ar), outperforming hole-mediated pathways. Antibacterial assays against Staphylococcus aureus revealed good antimicrobial activity for all nanoparticles. The nanocomposite’s antibacterial activity was similar across all samples and was only slightly lower than that of pure ZnS and ZnO. Full article

Glasses with compositions (52.5 − x/2)B₂O₃:(12.5 − x/2)SiO₂:25La₂O₃:5ZnO:5CaO:0.5Eu₂O₃:xWO₃, x = 0, 2.5, 5, 7.5, 10, 20 (mol%) were prepared by conventional melt-quenching method and investigated by X-ray diffraction analysis, DSC analysis, DR-UV-Vis spectroscopy and photoluminescence spectroscopy. Physical parameters like density, molar volume, oxygen molar volume and oxygen packing density were also determined. Their values, as well as DR-UV-Vis spectroscopy results, indicate that the tungstate ions incorporate into the base borosilicate glass as tetrahedral WO₄ and octahedral WO₆ groups. With increasing WO₃ content over 5 mol%, WO₆ units are progressively linked to each other by W-O-W bonds, leading to the formation of a more connected and homogeneous glass network. Glasses are characterized by a high glass transition temperature (over 650 °C) and good thermal stability. The emission intensity of the Eu³⁺ ion increases with the introduction of WO₃ due to the occurrence of non-radiative energy transfer from the tungstate groups to the active ion. The most intense luminescence peak observed at 612 nm suggests that the glasses are potential materials for red emission. Full article

Lead borophosphate zinc barium glass systems doped with different concentrations of Dy₂O₃ (0.5–2.0 mol%) were fabricated using the traditional melt-quenching method. The non-crystalline nature of the synthesized glass samples was verified through X-ray diffraction (XRD) analysis, which exhibited the characteristic absence of sharp diffraction peaks. Morphological, structural, and vibrational properties were analyzed using scanning electron microscopy (SEM) and Fourier infrared transmission (FTIR) spectroscopy. Optical absorption, emission, and decay lifetime observations were recorded to evaluate the luminescence behavior of Dy³⁺ ions. Judd–Ofelt parameters (Ω₂, Ω₄, and Ω₆) were evaluated from the optical absorption spectra of all the prepared glass samples. The emission spectra revealed three dominant transitions in the visible region corresponding to the ⁴F_9/2 ⟶ ⁶H_15/2 (blue ~ 484 nm), ⁴F_9/2 ⟶ ⁶H_13/2 (yellow ~ 574 nm), and ⁴F_9/2 ⟶ ⁶H_11/2 (~663 nm) transitions. Radiative characteristics, including radiative transition probability (A_R), radiative lifetime (τ_R), and branching ratio (β_R), were calculated from the emission spectra. Among the investigated compositions, the host glass embedded with 1.0 mol% Dy₂O₃ demonstrated the maximum emission intensity was observed along with superior quantum efficiency (η = 91.68%). The chromaticity coordinates for this composition (x = 0.33, y = 0.41) are positioned close to the white-light region in the CIE 1931 chromaticity diagram. These findings suggest that incorporating 1.0 mol% of Dy₂O₃ yields the highest luminescence efficiency, making the present glass system a promising candidate for white-light-emitting and photonic device applications. Full article

The time evolution of nanoscale structure formation on the surface of CdI₂ crystals grown both from the melt and from the gas phase is investigated. Atomic force microscopy was used to show that, already at the initial stages of exposure to air at room temperature, island-shaped nanostructures form, which subsequently aggregate into nanoclusters as the exposure time increases. Similar nanostructures, including nanopores and nanoclusters, are observed for CdI₂ crystals grown from the gas phase after prolonged exposure to air. Photoluminescence spectroscopy indicates that the formed nanoclusters are consistent with the presence of cadmium hydroxide (Cd(OH)₂) and cadmium oxide (CdO). The formation of nanostructures determines the time evolution of the low-temperature luminescence spectra of CdI₂ crystals. Additional bands with maxima at 1.87 eV and long-wavelength luminescence in the region with a maximum at 1.68 eV appear in the spectral structure. These results highlight the close relationship between surface structural evolution and the time-dependent optical properties of CdI₂. Full article

Tb³⁺-doped CaF₂ single crystals are attractive materials for green photonic applications due to their low phonon energy, high optical transparency, and efficient Tb³⁺ emission. In this work, CaF₂ single crystals doped with different TbF₃ concentrations (1, 5, and 10 mol%) were grown and systematically investigated in order to clarify the concentration-dependent spectroscopic behavior of Tb³⁺ ions in a fluorite host. Optical absorption spectroscopy, Judd–Ofelt analysis, steady-state and time-resolved photoluminescence, colorimetric evaluation, and emission cross-section and gain calculations were employed. Judd–Ofelt intensity parameters typical of fluoride hosts were obtained, enabling the calculation of radiative transition probabilities and lifetimes. The emission spectra are dominated by intense green luminescence from the ⁵D₄ → ⁷F₅ transition, while the absence of ⁵D₃ emission is attributed to efficient cross-relaxation processes. Fluorescence lifetimes in the millisecond range show slight changes with Tb³⁺ concentration. Quantum efficiency increases from low to intermediate concentrations and tends to saturate at higher doping levels. CIE 1931 chromaticity coordinates confirm stable green emission, while emission cross-sections and gain parameters reveal a highest value for orange emission of 10 mol% TbF₃-doped CaF₂ crystal. These results indicate that CaF₂:Tb³⁺ single crystals are promising materials for photonic applications. Full article

Zinc oxide (ZnO) nanostructures suffer from fast electron–hole recombination, limiting their applicability in photocatalytic environmental remediation, and carbon additives such as detonation nanodiamonds (DNDs) are constrained by their high defect density. To address this, ZnO nanocomposites modified with high-pressure, high-temperature nanodiamonds (HPHT NDs) were synthesized to evaluate whether their intrinsically lower defect density—evidenced by a dominant diamond Raman peak at 1330 cm⁻¹ and a low sp² carbon fraction of 6.6% compared to oxidized DNDs with strong D/G bands (~1350/1580 cm⁻¹) and ~25–35% sp² carbon—can enhance charge separation and improve photocatalytic activity. Oxidized HPHT NDs bearing carbonyl, carboxyl, and hydroxyl groups enabled covalent attachment to ZnO, and the resulting ND–ZnO composites were characterized by SEM/EDX, ATR-FTIR, Raman spectroscopy, XPS, and cathodoluminescence (CL). EDX confirmed increasing carbon incorporation from 13.0 to 52.9 at.%, while XPS revealed a 0.5 eV shift in the Zn 2p₃/₂ peak and an increase in Zn–O–Zn lattice oxygen from 31.3% to 61.6% in ND–ZnO 10. CL showed enhanced near-band-edge emission and reduced Zni-related luminescence (~3.0 eV). ND–ZnO 10 achieved a nearly threefold-higher degradation rate constant (0.0251 min⁻¹) than pristine ZnO (0.0087 min⁻¹) and retained 88% efficiency after five cycles, demonstrating strong potential for durable wastewater treatment. Full article

Terpyridines are well-known ligands in coordination chemistry, are valued for their conformational flexibility and strong metal-binding properties, and are also of interest as fluorophores. This study focused on the synthesis and comprehensive investigation of a new class of bis-oxazolo[5,4-b]pyridine derivatives, designed based on their structural similarity to terpyridines. Four novel compounds, 4a–d, were synthesized by cyclization of amide derivatives of 3-aminopyridin-2(1H)-ones using pyridine-2,6-dicarboxylic acid and its dichloride as key acidic components. Their structures and purity were confirmed by melting point analysis, high-resolution mass spectrometry, and ¹H, ¹³C NMR spectroscopy. Compounds 4a–c exhibit UV absorption at 323–357 nm and intense blue to deep-blue fluorescence (357–474 nm, цi ≈ 0.32–0.84) in chloroform, dichloromethane, and acetonitrile, attributed to p–p* transitions within the conjugated ring system. These findings suggest their potential as phosphors for organic electronics. Computational modeling of 4a–c molecules provided insight into their electronic structures, conformational stability, and predicted optical behavior. The most stable conformers (4a–II, 4b–II, 4c–II′) exhibited a progressive decrease in the HOMO–LUMO gap from 4a to 4c, correlated with the enhancement of photoactivity. Among them, compound 4a stands out as the most promising luminophore, displaying the most intense and narrow luminescence band, owing to its high molecular symmetry and stable emission characteristics. Overall, this study lays the foundation for future studies of bis(oxazolo[5,4-b]pyridine) derivatives in coordination chemistry and optoelectronic materials development. Full article

Apatite is a widespread accessory mineral, which can provide information on the geochemical characteristics of magma and the conditions of hydrothermal alteration of the rocks in magmatic–hydrothermal deposits. This study aims to understand the relationships between the geochemical and textural features of apatites from diorite porphyries that have undergone different degrees of hydrothermal alteration in the Sharlo Dere area, Chelopech epithermal Cu-Au deposit, Bulgaria. The apatites were characterized by laser ablation–inductively coupled plasma mass spectrometry, scanning electron microscopy with energy-dispersive X-ray spectroscopy, electron probe microanalysis with wave-dispersive spectroscopy, optical cathodoluminescence and multi-element mapping. Magmatic apatites from “hematitic”, propylitic and propylitic-sericitic zones of alteration are distinguished by euhedral crystals with oscillatory zoning and brown luminescence in CL images. In quartz-sericitic alteration zones, apatite has a yellow CL response. Hydrothermally altered apatites in the diorite porphyries overprinted by advanced argillic alteration have corroded, irregular forms and pink-green luminescence. Apatite crystals of magmatic origin reveal high contents of chlorine, strontium, light rare earth elements (LREE), negative Eu anomalies and high La_N/Sm_N and Ce_N/Yb_N ratios. Hydrothermally altered or hydrothermal apatites are distinguished by their higher contents of Na₂O, F, SO₃, Y and middle rare earth elements (MREEs) and their low La_N/Sm_N and Ce_N/Yb_N ratios. The intensity of hydrothermal alteration affects the luminescence and major and trace element contents, including the rare earth element patterns in the apatites, implying apatite can be used as a geochemical indicator to study magmatic–hydrothermal ore deposits. Full article