UV Vis Diffuse Reflectance Spectra Research Articles

Cs-Doped WO3 with Enhanced Conduction Band for Efficient Photocatalytic Oxygen Evolution Reaction Driven by Long-Wavelength Visible Light.

Cesium doped WO3 (Cs-WO3) photocatalyst with high and stable oxidation activity was successfully synthesized by a one-step hydrothermal method using Cs2CO3 as the doped metal ion source and tungstic acid (H2WO4) as the tungsten source. A series of analytical characterization tools and oxygen precipitation activity tests were used to compare the effects of different additions of Cs2CO3 on the crystal structure and microscopic morphologies. The UV-visible diffuse reflectance spectra (DRS) of Cs-doped material exhibited a significant red shift in the absorption edge with new shoulders appearing at 440-520 nm. The formation of an oxygen vacancy was confirmed in Cs-WO3 by the EPR signal, which can effectively regulate the electronic structure of the catalyst surface and contribute to improving the activity of the oxygen evolution reaction (OER). The photocatalytic OER results showed that the Cs-WO3-0.1 exhibited the optimal oxygen precipitation activity, reaching 58.28 µmol at 6 h, which was greater than six times higher than that of WO3-0 (9.76 μmol). It can be attributed to the synergistic effect of the increase in the conduction band position of Cs-WO3-0.1 (0.11 V) and oxygen vacancies compared to WO3-0, which accelerate the electron conduction rate and slow down the rapid compounding of photogenerated electrons-holes, improving the water-catalytic oxygen precipitation activity of WO3.

Elucidation of structural, electromagnetic, and optical properties of Cu–Mg ferrite nanoparticles

Copper doped magnesium ferrite, Mg1-xCuxFe2O4(x = 0.0–1.0) nanomaterials were synthesized via. sol-gel method sintered at 600 °C for 2 h. The synthesized materials were characterized using modern sophisticated techniques viz. X-ray diffraction (XRD), Scanning electron microscopy (SEM), Transmission electron microscopy, Energy dispersive x-ray spectroscopy (EDS), Vibrating sample magnetometer, UV–visible diffuse reflectance spectra and Impedance analyzer. XRD analysis revealed that all the samples were single phase cubic spinel structure with Fd3m space group and investigated the change in structural parameters with copper concentration. The average crystallite size in the range of 11–23 nm and lattice parameters decrease with increasing Cu doping, due to the cationic distribution and ionic radius. The SEM images show the agglomeration of the particles with spherical like shape and elemental percentage were obtained from EDX. The saturation magnetization showed an increasing trend with increasing Cu concentration at a certain level and then decreases due to the rearrangement of cations at tetrahedral and octahedral sites. The Coercivity, Retentivity and magnetic crystalline anisotropy increase with changing dopant concentration. The magnetic measurements showed enhanced saturation magnetization at certain level (28.96emu/gm) and increase in coercivity up to 1102 Oe with changing dopant concentration. The estimated band gap energy is found to increase with Cu content. The dielectric constant, dielectric loss and impedance show normal behavior of ferrite. The frequency dependent dielectric constant decrease and tan delta shows a relaxation behavior at low frequencies. The synthesized nano Mg–Cu nanoparticles will be applied as humidity sensor, gas sensor, microwave devices and photocatalyst.

Integrated Solution for As(III) Contamination in Water Based on Crystalline Porous Organic Salts.

A stable crystalline organic porous salt (CPOSs-NXU-1) with 1D apertures has been assembled by the solvothermal method, which shows high-sensitivity "turn-on" fluorescence detection and large-capacity adsorption of As(III) ions in water. The detection limits, saturated adsorption capacity, and removal rate of CPOSs-NXU-1 for As(III) ions in an aqueous solution can reach 74.34nm (5.57 ppb), 451.01mgg-1, and 99.6%, respectively, at pH = 7 and room temperature. With the aid of XPS, IR, Raman, and DFT theoretical calculations, it is determined that CPOSs-NXU-1 adsorbed As(III) ions in the form of H2AsO3 - and H3AsO3 through hydrogen bonding between the host and guest. The mechanism for fluorescence sensitization of As(III) ions to CPOSs-NXU-1 is mainly to increase the energy level difference between the ground state and excited state investigated by UV-vis absorption spectra, UV-vis diffuse reflectance spectra, and theoretical calculations. By constructing fluorescent CPOSs, an integrated solution has been achieved to treating As(III) contamination in the water that is equipped with detection and removal. These results blaze a promising path for addressing trivalent arsenic contamination in water efficiently, rapidly, and economically.

High adsorption of Cu(II) in novel thiacalix[4]arene/acrylic polymer/diatomite fast fabricated by electron beam irradiation: Controllable microstructures, adsorption performance and mechanism

Chemical grafting of calix[4]arene is a common method to prepare high-performance calix[4]arene adsorbents for heavy metals, however, the chemical grafting process consumes much time and a large amount of heating energy due to the tedious steps. Herein, a thiacalix[4]arene/acrylic polymer/diatomite (TC4A/PAA/diatomite) adsorbent was fast fabricated by electron beam irradiation induced grafting, polymerization and crosslinking technique only in one-pot for the removal of Cu(II) as an important form of heavy metal pollution. Characterization by Fourier transform infrared (FTIR) spectra, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), diffuse reflectance UV–visible spectra and positron annihilation lifetime spectra (PALS) disclosed that the eco-friendly and low-cost TC4A/PAA/diatomite irradiated at 90 kGy namely TC4A/PAA/diatomite (90 kGy) with strong complexing ability owing to many functional groups such as carboxyl, hydroxyl etc in it. The effects of electron beam irradiation dose, initial solution pH, and initial concentration of Cu(II) on the adsorption performance of TC4A/PAA/diatomite were investigated. The isotherm adsorption data of Cu(II) in TC4A/PAA/diatomite (90 kGy) are more suitable for the Langmuir model with the maximum adsorption capacity of 123.30 mg/g. In addition, the bifunctional TC4A/PAA/diatomite (90 k Gy) can efficiently remove Cu(II) and display excellent reusability properties. The adsorption mechanism was further analyzed by FTIR, SEM, X-ray photoelelctron spectroscopy (XPS), diffuse reflectance UV–visible spectra and PALS. This study provides a fast, efficient and eco-friendly synthesis method of calix[4]arene adsorbent, conducing to the design of material innovation. Meanwhile, TC4A/PAA/diatomite (90 kGy) has potential application prospects in the treatment of practical Cu(II) contaminated wastewater.

Enhanced Photocatalytic Hydrogen Evolution of In2S3 by Decorating In2O3 with Rich Oxygen Vacancies.

The hydrogen (H2) evolution rates of photocatalysts suffer from weak oxidation and reduction ability and low photogenerated charge carrier separation efficiency. Herein, by combining band-gap structure optimization and vacancy modulation through a one-step hydrothermal method, In2O3 containing oxygen vacancy (Ov/In2O3) is simply introduced into In2S3 to promote photocatalytic hydrogen evolution. Specifically, the change in the sulfur source ratio can induce the coexistence of Ov/In2O3 and In2S3 in a high-temperature hydrothermal process. Under light irradiation, In2S3@Ov/In2O3-0.1 nanosheets hold a remarkable average H2 evolution rate up to 4.04 mmol g-1 h-1, which is 32.14, 11.91, and 2.25-fold better than those of pristine In2S3, In2S3@Ov/In2O3-0.02, and In2S3@Ov/In2O3-0.25 nanosheets, respectively. The ultraviolet-visible (UV-vis) diffuse reflectance and photoluminescence (PL) spectra reveal that the formation of Ov/In2O3 in In2S3 optimizes the band-gap structure and accelerates the migration of the photogenerated charge carrier of In2S3@Ov/In2O3-x nanosheets, respectively. Both the enhancement of oxidation and reduction ability and photogenerated charge carrier separation ability are responsible for the remarkable improvement in photocatalytic H2 evolution performance. This work provides a new strategy to prepare a composite of metal sulfide and metal oxide through a one-step hydrothermal method.

A novel recyclable photocatalytic composite TiO2NTs@Bi25FeO40 for tetracycline mineralization

Titanium dioxide nanotubes (TiO2NTs) are prepared by anodizing Ti substrates, which is a good solution to the problem that powdered materials are more difficult to recycle. Hence, a novel recyclable TiO2NTs@Bi25FeO40 (TiO2/BFO) photocatalyst was prepared by anodic oxidation combined with hydrothermal deposition. The photocatalytic ability of TiO2NTs prepared at different factors and Bi25FeO40 compound was evaluated. The TiO2/BFO showed the optimal photocatalytic efficiency, which the removal ratio of tetracycline hydrochloride (TC-HCl) higher than that of TiO2NTs under visible-light irradiation. UV–vis diffuse reflectance spectra (DRS) analysis proved that the band gap of TiO2/BFO was narrower than that of TiO2NTs. The narrow band gap of TiO2/BFO results in a broadening of its light absorption region. Meanwhile, the combination of free radical quenching experiments and EPR measurement showed that ·O2− was the main active radical in the photocatalytic process, and the presence of Bi25FeO40 effectively promoted the generation and transfer of electrons. Mechanistic analysis showed that a unique II-type heterojunction electron transfer structure was formed between TiO2NTs and Bi25FeO40, which promoted the photogenerated electron-hole separation and improved the photocatalytic oxidation activity. The preparation of TiO2/BFO provided a new strategy for synthesizing more efficient and environmentally friendly photocatalyst.

Mechanistic study of novel ordered BiVO4/C/TiO2 S-heterojunctions with C layers as the electron transport pathways

Assembling the composition synergism and structure adjustment to efficiently accelerate the electron transfer and separation, is emerging as a promising strategy for advanced photocatalytic wastewater treatment. Henein, a novel ordered BiVO4/C/TiO2(BVCT) S-scheme heterojunction were successfully synthesized. Scanning electron microscopy (SEM) and Transmission electron microscopy (TEM) show the composite of BiVO4 and C/TiO2, with the C layer as the contact surface. UV–vis diffuse reflectance spectra (UV–vis DRS) and X-ray photoelectron spectra (XPS) indicate that BVNT could follow S-scheme electron transfer. Electron paramagnetic resonance (EPR) shows that ·OH, ·OH, and h+ can all participate in photocatalytic reactions. Moreover, BVNT can degrade 91.2 % methylene blue (MB) within 40 min. This study provides new insights for the design of high-performance photocatalysts.

A novel noble-metal-free FeS2/Mn0.5Cd0.5S heterojunction for enhancing photocatalytic H2 production activity: Carrier separation, light absorption, active sites

BackgroundThe development of efficient and noble-metal-free photocatalysts is greatly essential for photocatalytic hydrogen production. However, the photocatalytic activity of a single photocatalyst is usually limited for various reasons. MethodsHerein, FeS2/Mn0.5Cd0.5S (FSMCS) heterojunctions were constructed by a simple solvent evaporation method. The morphological characterizations revealed a raspberry-like hollow microsphere structure for FeS2 and irregular granularity for Mn0.5Cd0.5S. Photoluminescence (PL) and electrochemical experiments indicated that the FSMCS composite effectively facilitated the separation of photogenerated electron-hole pairs. The UV–vis diffuse reflectance spectrum (DRS) showed that, in FSMCS composite, the visible light absorption range was effectively expanded to the full visible light. Significant findingsExcellent photocatalytic activity in FSMCS heterojunctions without loading noble metals because FeS2 could serve an active site for hydrogen production. The optimum FSMCS composite had excellent photocatalytic hydrogen production activity (6.1 mmol·g−1·h−1), which was 5.6 and 2.3 times higher than that of the pristine Mn0.5Cd0.5S (1.1 mmol·g−1·h−1) and Mn0.5Cd0.5S-1 %Pt (2.7 mmol·g−1·h−1). Meanwhile, in four round-robin tests, the activity of the 5FSMCS photocatalyst did not significantly decrease. This work proved that combining Mn0.5Cd0.5S and non-precious metal cocatalysts to construct heterojunctions is a promising strategy for photocatalytic hydrogen production.

Construction of Bi2WO6/g-C3N4/Cu foam as 3D Z-scheme photocatalyst for photocatalytic CO2 reduction

Photocatalytic CO2 reduction to hydrocarbon fuels represents a promising solution to CO2 emission challenges. However, photocatalytic CO2 reduction systems face hurdles in practical utilization for the low efficiency of photocatalysts and challenge in catalyst immobilization. Therefore, a novel monolithic three-dimensional Z-scheme photocatalyst was synthesized by fabricating Bi2WO6/g-C3N4 heterojunction on Cu foam substrate (Bi2WO6/g-C3N4/Cu foam) via thermal polymerization and electrophoresis deposition. A series of characterization results, including X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy and N2 adsorption–desorption, illustrate the crystalline properties, pore structure, and morphology of the composite photocatalyst. Consequently, Bi2WO6/g-C3N4/Cu foam achieved CO production yield of 33.84 μmol/g cat under visible light illumination for 6 h and retained 96.2 % of initial photocatalytic activity after 30 h of reaction. UV–Vis diffuse reflection spectra, photoluminescence spectra and photoelectrochemical analysis was involved to reveal the mechanism of the photocatalytic activity of composite photocatalyst.The synergistic effect of the Z-scheme mechanism and the hierarchical macroporous structure improves the light absorption, light-induced electron-hole pair separation, and charge transmission. This catalyst construction strategy provides a viable approach for facilitating practical photocatalytic CO2 reduction.

A novel iron metal organic framework-based nanocomposite for the synergistic degradation and adsorption of organic pollutants and Cr (Ⅵ) under visible light

In this work, a novel nitrogenous Fe-TPPE metal-organic-framework (MOF) with excellent visible light catalytic activity was successfully prepared, and a magnetic composite (Fe3O4@Fe-TPPE) with Z-type heterojunction structure was designed to synergistically treat organic pollutants and Cr(Ⅵ). The materials were carefully characterized by powder X-ray diffractometry, scanning electron microscope, Fourier transform infrared analysis, UV–visible diffuse reflectance spectra, X-ray photoelectron spectroscopy, thermogravimetric analysis, etc. The characterizations of photoelectric properties showed that the novel Fe-TPPE MOF exhibited strong response to visible light and Fe3O4@Fe-TPPE had even stronger response. Furthermore, the adsorption and photocatalytic degradation capabilities of Fe-TPPE and Fe3O4@Fe-TPPE, and the versatility as photocatalysts for aqueous pollutants were assessed through removal studies of the model pollutants tetracycline, rhodamine, methyl blue and Cr (VI). Additionally, the removal mechanism of the Fe3O4@Fe-TPPE for the above pollutants was explored. The high removal efficiency, fast magnetic separation, great recycling stability and minimal leak during application all demonstrate the good potential of Fe3O4@Fe-TPPE for practical and sustainable treatment of aqueous pollutants.

Construction of Zn0.5Cd0.5S/Bi4O5Br2 Heterojunction for Enhanced Photocatalytic Degradation of Tetracycline Hydrochloride

The development of efficient catalysts with visible light response for the removal of pollutants in an aqueous environment has been a hotspot in the field of photocatalysis research. A Zn0.5Cd0.5S (ZCS) nanoparticle/Bi4O5Br2 ultra-thin nanosheet heterojunction was constructed by ultrasound-assisted solvothermal method. The morphology, structure, and optoelectronic properties of the composite were characterized by scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and UV–vis diffuse reflectance spectra. Under simulated visible light illumination, the photocatalytic performance was evaluated through degradation of tetracycline hydrochloride. Results show that the degradation effect by the optimum ZCS/Bi4O5Br2 catalyst is superior to pure materials with the kinetic constant that is 1.7 and 9.6 times higher than those of Bi4O5Br2 and ZCS, and also has better stability and reusability. Trapping experiments and electron paramagnetic resonance tests find that free radicals in the photocatalytic system are superoxide radicals and holes. This work provides a referable idea for the development of more efficient and recyclable photocatalysts.

2D Cadmium(II) Coordination Polymer Based on 2,5-Furandicarboxylate and 1,4-Bis(1H-imidazol-1-yl)butane Linkers: Synthesis, Characterization and DFT Studies

AbstractAs a result of hydrothermal synthesis of 2,5-furandicarboxylate (fdc2−), Cd(II) ion and bis(imidazole) derivative 1,4-bis(1H-imidazole-1-yl)butane (bib) ligand, a novel two-dimensional Cd(II) coordination polymer {[Cd(µ-fdc)(H2O)(µ-bib)]·H2O}n (1) was synthesized. According to the results of single crystal X-ray diffraction analysis, the complex was crystallized in the monoclinic system and in the P21/n space group. In addition, the thermal, luminescence and optical properties of the complex were investigated. The complex emits a maximum at 509 nm and also shows semi-conductor properties according to the solid-state UV–Vis diffuse reflection spectra results. To determine chemical structure, vibrational properties and some chemical properties of complex, theoretical calculations were carried out. All theoretical computations were performed using the DFT method at the B3LYP/LanL2DZ level of theory. The obtained experimental results were in good agreement with theoretical results. To calculate HOMO–LUMO energy values, which provided insights into the material's electronic properties, DFT calculations were used. Detailed information about the local and global chemical activity, as well as the electrophilic and nucleophilic nature of the complex, were also obtained.

Crystal structure, optical properties, Hirshfeld surface analysis and antibacterial activity of a new organic-inorganic metal halide: 4-nitrobenzyl-4-methylpyridinium tetrachlorocobaltate(II)

This paper presented the synthesis, composition analysis, and structural characterization of a new organo-inorganic metal halide, 4-nitrobenzyl-4-methylpyridinium tetrachlorocobaltate(II) [4NO2Bz-4-MePy]2[CoCl4](1). The single-crystal X-ray diffraction analysis displayed that the compound crystallized in the monoclinic space group P21/c, consisting of two [4NO2Bz-4-MePy]+ cations and a [CoCl4]2− anion. The energy gap between the HOMO and LUMO orbitals, the polarizability, and the first hyperpolarizability were carried out based on the DFT calculation. The HOMO-LUMO energy gap and UV-visible diffuse reflectance spectrum illustrated the charge transfer interactions between the [CoCl4]2− anions and the [4NO2Bz-4-MePy]+ cations. In addition, the low band gap values (1.64 eV for the Tauc formula, 1.62 eV for the truncated line method, and 2.73 eV for the calculated value) indicated that the crystal was appropriate for optical applications. The first hyperpolarizability (βtot) was 342 times higher than that of standard KDP crystal (βKDP = 6.85 × 10−31 esu), suggesting that crystal 1 was a premium material for NLO applications. The scanning electron microscopy and energy dispersive spectrometer determined the morphology and elemental distribution of the crystal. Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions. The result of antimicrobial experiments displayed that the compound had excellent antimicrobial activity against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli).

Crystal structure, electronic structure and thermal stability of new phosphate Sr2In(PO4)(P2O7)

Searching for new phosphates is of special significance to enrich the basic database of the structure and properties for developing inorganic materials. Here, we present a new phosphate Sr2In(PO4)(P2O7) which crystallizes to a monoclinic cell (S.G. P21/c), with the lattice parameters of a = 6.5832(3) Å, b = 6.8984(3) Å, c = 19.813(1) Å, β=99.562(1)°, V = 887.3(1) Å3, and Z = 2. The three-dimensional frame of this structure is made of InO6, PO4, P2O7, SrO8, and SrO9 units. The co-existence of P2O7 and PO4 was confirmed by IR spectra assignment. The VB maximum and CB minimum of Sr2In(PO4)(P2O7) are dominated by In-s and O-p state, respectively. Combining the calculated electronic structure with measured UV–Vis diffuse reflectance spectrum, this phosphate shows a wide indirect energy band-gap. DTA indicates that its melt point is about 1245 °C. The large band gap and high thermal stability would be catering for the material requirement in futural optical or other functional application fields.

Sol-Gel technique, characterization and photocatalytic degradation activity of Manganese doped ZnO nanoparticles

Photocatalysis using semiconductor metal oxide stands out as a highly effective and efficient method for eliminating organic pollutants from wastewater. This study aims to assess the photocatalytic capabilities of Mn doped ZnO nanocomposites in degrading methylene blue (MB) dye under ultra-violet light exposure. This study details the synthesis of ZnO photocatalysts through a straightforward one-step sol-gel method, incorporating varying levels of Mn-doping (0%, 2% & 4%). The structural and optical attributes were examined using techniques such as powder X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and UV-Vis diffuse reflectance spectra. X-ray diffraction analyses verified the presence of a hexagonal wurtzite crystal structure in all synthesized samples, exhibiting a high degree of crystallinity. In addition, an investigation into the impact of Mn impurities on the photocatalytic performance of ZnO catalysts was conducted in the context of methylene blue (MB) degradation. The experimental findings revealed that the Mn doped ZnO nanoparticles produced exhibited significantly superior photocatalytic performance compared to pure ZnO when used in breaking down methylene blue under UV-light exposure. This study proposes that these Mn doped ZnO could serve as a highly effective photocatalyst for treating water contaminated with certain chemically persistent synthetic organic dyes. The improved photocatalytic capabilities of ZnO nanostructures doped with Mn were ascribed to the synergistic impact of increased surface area in ZnO nanosphere and enhanced efficiency in charge separation resulting from optimized Mn doping. A potential explanation for the heightened photocatalytic performance of Mn-doped ZnO nanostructures is proposed tentatively.

Facile construction of MoS2 decorated CdS hybrid heterojunction with enhanced hydrogen generation performance

Promoting the charge separation to improve photocatalytic performance of semiconductor photocatalysts is very important in the field of artificial photosynthesis. Here, a novel MoS2/CdS 2D–2D ultrathin nanosheet heterostructure was fabricated via a one-pot solvothermal route. The obtained 2D–2D MoS2/CdS nanojunction has not only provided large contact areas, but also shortened the charge transport distance, resulting in significantly enhanced photocatalytic H2 evolution property. The composites that were synthesized were examined using X-ray diffraction (XRD), Field emission scanning electron microscope (FESEM), Transmission electron microscope (TEM), UV-vis diffuse reflectance spectra (DRS), Photoluminescence (PL) and X-ray photoelectron spectra (XPS) analysis. By optimizing the 2D MoS2 amounts in the heterojunction, the 5 wt.% 2D/2D MoS2/CdS heterojunction displayed the maximal photocatalytic H2 evolution rate of 4449 μmolh−1g−1 under visible light irradiation in the presence of lactic acid as the sacrificial reagent, which was 6 times higher than that of pristine 2D CdS. Based on the photoelectrochemical and photoluminescence spectra tests, it could be deduced that the charge separation and transfer of 2D/2D MoS2/CdS heterojunction was tremendously improved, and the recombination of photoinduced electron-hole pairs was effectively impeded. Moreover, the 2D MoS2 was used as a cocatalyst to provide the abundant active sites and lower the overpotential for H2 generation reaction. The current work would offer an insight to fabricate the 2D/2D heterojunction photocatalysts for splitting H2O into H2.

Photocatalytic oxidation degradability of ammonia–nitrogen and Ni/Co ammonia complexes in ternary precursor wastewater by constructing MoS2/g-C3N4 heterojunction: Performance and mechanism

In this study, MoS2/g-C3N4 heterojunction photocatalysts were fabricated in order to treat ammonia–nitrogen wastewater resulting from the production of ternary cathode material precursors used in the manufacture of lithium-ion batteries. The catalysts were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), N2 adsorption–desorption test, UV–Vis diffuse reflectance spectra (UV–Vis DRS), Fourier-transform infrared spectroscopy (FT-IR Nicolet 6700), energy dispersive X-ray spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). The catalytic efficiency of the catalysts on ammonia–nitrogen and Ni/Co ammonia complexes in the wastewater was investigated by varying MoS2 doping, catalyst dose, adsorption duration, and photocatalysis duration. The results showed 2.0 g/L of MoS2/g-C3N4-1 wt% (photocatalyst with a content of 1 wt% MoS2) has the best photocatalytic efficiency. A degradation efficiency of 87.52 % for ammonia–nitrogen, 98.34 % for nickel and 97.80 % for cobalt was reached after one hour of dark adsorption and four hours of illumination. EDS and XPS analysis revealed that Ni2+/Ni3+ and Co2+/Co3+ were adsorbed from the solution onto the catalyst surface, and that NH4+/NH3 was converted into NO3− and N2.

Synthesis, crystal structure, spectroscopic properties, thermal behavior and DFT studies of a new organic-inorganic hybrid [4FBzTPP]2[CoBr4]

A new organic-inorganic hybrid [4FBzTPP]2[CoBr4](1) (4FBzTPP = 4-fluorobenzyltriphenylphosphonium) was synthesized and characterized by X-ray diffraction, DTA-TG measurement, FT-IR and Raman spectroscopies, Scanning Electron Microscope (SEM), Energy Dispersive Spectrometer (EDS) and UV–vis diffuse reflectance spectrum. [4FBzTPP]2[CoBr4] crystallized in monoclinic system with P21/c space group, consisting of two [4FBzTPP]+ cations and one distorted tetrahedral [CoBr4]2− anion. Powder X-ray diffraction analysis confirmed the bulk phase purity and homogeneity of the material. The UV–vis-DRS result indicated that the energy gap value of the electron transition was 1.60 eV, which was quite distant from the calculated value of 1.64 eV. The material showed fluorescent emission at 389 nm, 414 nm, 448 nm, and 495 nm under the excitation of UV light at 380 nm. Theoretical calculations were performed using the density functional theory method to derive the dipole moment and first hyperpolarizability of the as-synthesized molecule. The first hyperpolarizability value (βtot) was more than 11,600 times higher than those of standard KDP crystals, indicating that [4FBzTPP]2[CoBr4] was an excellent material for applications.

Synthesis and Spectroscopic Investigations of Sm3+ Activated ZrO2 and Na2ZrO3 as Warm Light Phosphors.

In this work, we investigate how the structural and optical characteristics of ZrO2 and Na2ZrO3 are influenced by Sm3+ ion doping. Urea-assisted combustion approach is employed by varying the molar concentration of Sm3+ ions in both the host lattices. XRD pattern revealed the monoclinic crystal system for both samples. XPS investigation has been examined to acquire the chemical information of the samples. FESEM is used to identify the morphology of the samples. The optimum molar concentrations of Sm3+ doped ZrO2 and Na2ZrO3 phosphors, as per photoluminescence (PL) findings, are 1.5mol% and 2mol%, respectively. CIE coordinates of ZrO2:Sm3+ and Na2ZrO3:Sm3+ are found to be (x = 0.59, y = 0.41) and (x = 0.61, y = 0.39) that corresponds to the amber region of color gamut. The optical bandgap for the synthesized samples is estimated using the UV-Vis diffuse reflectance spectra and the obtained values for the optimal concentration of dopant (Sm3+) in the ZrO2 and Na2ZrO3 samples are 4.61 and 4.94eV, respectively. The findings of the study reveal that the synthesized phosphors may be utilized as warm light phosphors and be a promising candidate for amber light-emitting diodes (LEDs).

Enhanced photocatalytic reduction of Cr (VI) using Ag@AgCl/RGO/CuO nanocomposite under visible light

This study investigated the photocatalytic activity of three nanocomposites, namely Ag@AgCl, Ag@AgCl/RGO, and Ag@AgCl/RGO/CuO, by examining their ability to reduce Cr (VI) using visible light irradiation. The photocatalytic samples were characterized using various methods, including X-ray diffraction, Fourier transform infrared spectroscopy, field emission-scanning electron microscopy, Raman spectroscopy, UV–Vis diffuse reflectance spectra, and photoluminescence spectroscopy. Our findings showed that the incorporation of CuO and RGO co-catalysts significantly improved the photocatalytic reduction of Cr (VI) in the plasmonic Ag-AgCl sample. Among the three samples, the Ag@AgCl/RGO/CuO nanocomposite demonstrated the highest efficiency in reducing Cr (VI) to Cr (III) using visible light with a 98 % reduction of Cr(VI) within 45 min. The improved efficiency of the Ag@AgCl/RGO/CuO photocatalyst could be attributed to its superior ability to absorb visible light and reduce the rate of electron-hole recombination. The Ag@AgCl/RGO/CuO also showed a reaction rate constant of 0.086 min−1, which was approximately 17 times faster than that of Ag@AgCl.