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Structural, photoluminescence and dielectric investigations of phosphatic shale
摘要： In the current study, the structural and spectroscopic properties of phosphatic shale samples obtained from the Atomic Minerals Directorate for Exploration and Research were probed for potential use as a phosphor material. X‐ray diffraction and Raman and Fourier transform infrared spectroscopy revealed that the beneficiated phosphatic shale samples were primarily monophasic consisting of fluorapatite [Ca5(PO4)3F, (FAP)] with minor traces of haematite (α‐Fe2O3) and calcite (CaCO3). Energy dispersive X‐ray fluorescence revealed the presence of U, Eu, Dy and Tb in the FAP matrix substituted at Ca(I) and Ca(II) sites of FAP. A reduced optical direct band gap of 4.46 eV was calculated from the Tauc plot. Photoluminescence spectral studies revealed multicolour emissions (red, yellow, green and blue) on ultraviolet light excitation that were attributed to luminescence spectra from rare earth ions Eu3+, Tb3+, U4+ and U6+ in the FAP matrix. The overall emissions for the rare earth and actinide‐doped FAP were obtained in the cool white region and the corresponding Commission Internationale de l’Eclairage chromaticity coordinates were calculated to be (0.274, 0.317). The corresponding colour correlated temperature obtained was 9342 K. Furthermore, phosphatic shale had a high room temperature dielectric constant of 11 at a frequency of 1 kHz that demonstrated its suitability for use in biological sensors. The study showed that natural phosphatic shale could be a potential material for optical, biological and dielectric applications.
关键词： dielectric studies,photoluminescence,phosphor,X‐ray diffraction
更新于2025-09-19 17:15:36
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Spectroscopic ellipsometry and morphological characterizations of nanocrystalline Hg1-xMnxO oxide diluted magnetic semiconductor thin films
摘要： The structural, optical spectroscopic ellipsometry and morphological properties of nanocrystalline Hg1-xMnxO (0 ≤ x ≤ 0.2) oxide diluted magnetic semiconductor thin films synthesized by electron beam deposition technique have been investigated by means of X-ray diffraction (XRD), spectroscopic ellipsometry (SE) and atomic force microscopy (AFM) techniques. All the deposited films crystallize in the form of a hexagonal crystal structure. The integration between X-ray and atomic force microscopy data shows a very good agreement for the nanosize nature of the deposited films. For the surface roughness, good matching between the results of SE and AFM measurements was observed. In the spectral range 200–1200 nm, the real part (ε1) and imaginary part (ε2) of the dielectric constant of nanocrystalline Hg1-xMnxO films have been extracted from SE measurements. At fixed energy value, the ε1, consequently the refractive index is found to decrease with increasing Mn2+ dopant. In contrary, the energy gap (Eg) of the deposited films determined from the ε2 is found to increase as the Mn2+ concentration increases. The variation of both the ε1 and Eg as a function of Mn2+ concentration is understood based on Lorentz-Lorenz relation and sp-d exchange interaction, respectively. The results reported here show that Mn-doped HgO nanocrystalline films could be employed in the fabrication of nanoscale optical and magneto-optical devices.
关键词： Atomic force microscope,Vapor deposition,Spectroscopic ellipsometry,Optical properties,Semiconductors,AFM,Optical materials,Nanostructured materials,Thin films,X-ray diffraction
更新于2025-09-19 17:15:36
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Interaction of Zinc Oxide and Copper Oxide Nanoparticles with Chlorophyll: A Fluorescence Quenching Study
摘要： The present study aims to investigate the interactions of zinc oxide nanoparticles and copper oxide nanoparticles with the major photosynthetic pigment chlorophyll using ultraviolet-visible, steady state, and time resolved laser induced fluorescence spectroscopy. The steady state fluorescence measurements show that zinc oxide and copper oxide nanoparticles quench the fluorescence of chlorophyll in concentration-dependent manner. The Stern-Volmer plot for the chlorophyll-zinc oxide nanoparticles is linear, and the value of quenching constant has been observed to increase with temperature indicating the possibility of dynamic quenching. A decrease in the lifetime of chlorophyll with increase in the concentration of zinc oxide nanoparticles confirms the involvement of dynamic quenching in the chlorophyll–zinc oxide nanoparticle interaction. In the case of copper oxide nanoparticles, the Stern-Volmer plot deviates from linearity observed in the form of upward curvature depicting the presence of both static and dynamic quenching. In addition, the lifetime of chlorophyll decreases with increase in the concentration of copper oxide nanoparticles displaying the dominance of dynamic quenching in the chlorophyll-copper oxide nanoparticle interaction. The decrease observed in the value of binding constant with increasing temperature and negative values of change in enthalpy, entropy, and Gibb’s free energy indicates that van der Waal and hydrogen bonding are the prominent forces during the interaction of chlorophyll with both zinc oxide and copper oxide nanoparticles and that the process is spontaneous and exothermic. The interaction of zinc oxide and copper oxide nanoparticles with chlorophyll occurs through electron transfer mechanism. The obtained results are useful in understanding the sensitization processes involving chlorophyll and zinc oxide and copper oxide nanoparticles.
关键词： chlorophyll and nanoparticles,molecular interaction,ultraviolet-visible spectroscopy,laser-induced fluorescence spectroscopy,Attenuated total reflectance–Fourier transform infrared spectroscopy,steady state and time resolved fluorescence,X-ray diffraction
更新于2025-09-19 17:15:36
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Coordination Polymeric Ensemble of Silver with Nitrate and 4-(Aminomethyl)benzoate: Synthesis, Crystal Structure, and Luminescence Properties
摘要： Prismatic crystals of Ag3(4-Amba)2(NO3)2 (I) and Ag(4-AmbaH)NO3 (II) are isolated from the reaction mixture of aqueous solutions of 4-aminomethylbenzoic acid (4-AmbaH) and AgNO3 at Т ≈ 70°C. The crystal structure of compound I (СIF file CCDC no. 1851513) and the luminescence properties of compounds I and II are studied. The structure of compound I contains two crystallographically nonequivalent silver atoms Ag(1) and Ag(2) with the octahedral coordination mode (with allowance for Ag···Ag contacts) with different compositions of the internal spheres of the central atoms. Owing to the contacts, the silver atoms are joined into in?nite cluster ribbons (Ag···Ag 3.06?3.27 ?). The carboxylate group of the 4-Amba anion exhibits the bridging properties and binds the silver atoms of both types. The Ag(2) atoms also contact with the oxygen atom of the NO3– ion and coordinate the NH2 group of 4-Amba. The photoluminescence spectra of compounds I and II are of the same type and show the presence of two groups of emission bands with centers at 484 and 543 nm shifted to the red range of the spectrum relative to the band of 4-AmbaH.
关键词： polynuclear silver compounds,X-ray diffraction analysis,luminescence spectra
更新于2025-09-19 17:15:36
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Photoluminescence in <i>m</i> -carborane–anthracene triads: a combined experimental and computational study
摘要： New hybrids synthesized by linking two anthracenyl units to the Ccluster atoms of a non- (4), a mono- (5) and a di-iodinated (6) m-carborane fragment through CH2 spacers, along with their full characterization, are reported. Noticeably, bonding the m-carborane fragment to the anthracene moieties produces a significant increase of more than two-fold in the intrinsic fluorescence quantum yield (fF) of the anthracene itself, with values of fF 4 60% in THF and fF 4 48% in toluene, although it does not alter the absorption and emission patterns of the fluorophore in solution. A red-shift of the emission maximum with respect to the solution is observed in the aggregate state (THF/H2O, 1 : 99 v/v), along with moderate quantum yields; compounds 4 and 5 show fF = 22 and 19%, respectively, whereas 6 has a lower value (fF = 8%). The di?erence between the fF values in the aggregate state has been attributed to the arrangement of dimers for each compound in the solid state structures. X-ray crystal structures of compounds 4 and 5 show the anthracene units to be roughly parallel, whereas such an arrangement is clearly disrupted in compound 6. Such di?erences have been analyzed by Hirshfeld surfaces, decomposed fingerprint plots for the three compounds and DFT calculations. The combined results from the supramolecular analyses and DFT studies support the idea that a less delocalized system in the case of 6 can be explained by the di?erent packing in the aggregate or solid state for this di-iodo-derivative. The observed arrangement of molecules of 6 seems to be related to a larger number of H(cid:2) (cid:2) (cid:2)I contacts, with respect to the non-iodinated or mono-iodinated compounds, 4 or 5. According to this assumption, there is a direct relationship between the structure in the solid state and the PL properties; in the m-carborane derivatives, small changes in their structures have caused variations in the photophysical properties, especially in the quantum e?ciency.
关键词： X-ray diffraction,anthracene,m-carborane,Hirshfeld surfaces,photoluminescence,DFT calculations,fluorescence quantum yield
更新于2025-09-19 17:15:36
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Photoluminescence Properties of Yb and Ag Co-Doped Ta<sub>2</sub>O<sub>5</sub> Thin Films
摘要： We prepared ytterbium and silver co-doped tantalum-oxide (Ta2O5:Yb,Ag) thin films using a simple co-sputtering method and evaluated photoluminescence (PL) properties of the films after annealing. We found that a PL peak at a wavelength of 980 nm due to Yb3+ can be strongly enhanced by Ag doping. From X-ray diffraction measurements, we found that Ag2Ta8O21 and orthorhombic Ta2O5 crystalline phases are very important in order to enhance the 980-nm peak observed from our Ta2O5:Yb,Ag thin films. Because of the human-body transmittability of the 980-nm wavelength, such films are applicable to a novel real-time X-ray dosimeter system.
关键词： Yb,Ag,co-sputtering,Ta2O5,photoluminescence,X-ray diffraction
更新于2025-09-19 17:15:36
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Dynamics of the photoinduced insulator-to-metal transition in a nickelate film
摘要： Material properties can be controlled via strain, pressure, chemical composition, or dimensionality. Nickelates are particularly susceptible due to their strong variations of the electronic and magnetic properties on such external stimuli. Here, we analyze the photoinduced dynamics in a single crystalline NdNiO3 film upon excitation across the electronic gap. Using time-resolved reflectivity and resonant x-ray diffraction, we show that the pump pulse induces an insulator-to-metal transition, accompanied by the melting of the charge order. Finally, we compare our results with similar studies in manganites and show that the same model can be used to describe the dynamics in nickelates, hinting towards a unified description of these photoinduced electronic ordering phase transitions.
关键词： resonant x-ray diffraction,nickelate,insulator-to-metal transition,charge order,photoinduced dynamics,time-resolved reflectivity
更新于2025-09-19 17:15:36
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Strain Mapping of CdTe Grains in Photovoltaic Devices
摘要： Strain within grains and at grain boundaries (GBs) in polycrystalline thin-film absorber layers limits the overall performance because of higher defect concentrations and band fluctuations. However, the nanoscale strain distribution in operational devices is not easily accessible using standard methods. X-ray nanodiffraction offers the unique possibility to evaluate the strain or lattice spacing at nanoscale resolution. Furthermore, the combination of nanodiffraction with additional techniques in the framework of multimodal scanning X-ray microscopy enables the direct correlation of the strain with material and device parameters such as the elemental distribution or local performance. This approach is applied for the investigation of the strain distribution in CdTe grains in fully operational photovoltaic solar cells. It is found that the lattice spacing in the (111) direction remains fairly constant in the grain cores but systematically decreases at the GBs. The lower strain at GBs is accompanied by an increase of the total tilt. These observations are both compatible with the inhomogeneous incorporation of smaller atoms into the lattice, and local stress induced by neighboring grains.
关键词： X-ray microscopy,nanodiffraction,X-ray diffraction (XRD),solar cells,multimodal,CdTe,X-ray,strain,X-ray fluorescence (XRF),photovoltaic,X-ray beam induced current (XBIC)
更新于2025-09-19 17:13:59
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Eco-friendly synthesis of regioregular poly(3-hexylthiophene) by direct arylation polymerization: Analysis of the properties that determine its performance in BHJ solar cells
摘要： A series of regioregular poly(3-hexylthiophenes) (rr-P3HTs) was synthetized by optimizing an eco-friendly Direct Arylation Polymerization (DArP) method, using as novel strategy, a gradual catalyst addition and temperature reaction increase improving P3HT quality. The polymers were analyzed and tested in organic solar cells (OSCs) in order to correlate the P3HTs properties with the power conversion efficiency (PCE). Results revealed that the best PCEs (3.6 and 3.4 %) were reached with P3HTs of the highest RR (94 and 93 % HT), with the lowest molecular weight (5.1 and 4.9 kDa) and, as X-ray diffraction in films and 2D-GIWAXS results endorse, with an edge-on orientation over the substrate, the largest size crystal and the highest Bragg’s peaks, this latter feature could be the most effective reason to obtain the best PCEs. Theoretical calculations helped to understand how specific P3HT crystalline arrangements in the active layer favors the PCE.
关键词： X-ray diffraction,Poly(3-hexylthiophene),organic solar cells,eco-friendly direct heteroarylation polymerization
更新于2025-09-19 17:13:59
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GaAs1-Sb /GaAs single quantum well for long wavelength photonic devices
摘要： Carrier dynamics in GaAs1-xSbx/GaAs single quantum well (SQW) is investigated in this report. With Sb incorporation (x = 0.352, 0.405), the photoluminescence (PL) emission peaks exhibit characteristics of GaAs1-xSbx in low temperature and GaAs above 200 K. In power dependent PL, the intensities reveal sublinear power relationship as localized and free excitons are involved at 10 K. The power exponent is in agreement with the degree of localization energy present in SQW and carrier kinetics for various recombination mechanisms are also discussed by deriving respective rate equations.
关键词： X-ray diffraction,Gallium Arsenic-antimonide,Photoluminescence,Heterostructure,SQW
更新于2025-09-19 17:13:59