Doping Percentage Research Articles

Nanocomposite materials for decontamination of highly toxic acid dye from aqueous streams

ABSTRACT The rising issue of water pollution, driven by industry, urbanisation, and population increase, needs urgent action to address the release of contaminants. This study tackles the critical need for a low-cost, highly efficient adsorbent to extract toxic dyes from aqueous streams. The innovation lies in the synthesis of Cu/TiO2-CWSP composite, and composites with varying percentages of copper doping and comparing Cu/TiO2-CWSP composites with other nanocomposites, such as Li/TiO2-CWSP, Na₂SiO₃-CWSP, and various CaO-Fe-based composites. The works thoroughly optimised important parameters, including adsorbent dosage, pH, initial dye concentration, and exposure period, demonstrating their major influence on dye removal efficiency. Furthermore, the study assessed the effect of beginning pH on the adjustment of final pH, demonstrating variable efficiency levels depending on initial conditions. Recent research has evaluated numerous adsorbents, analysed by SEM. The highest % removal of acid green dye using Cu/TiO2-CWSP composite was at pH 7, dose of 0.5 g/L with a value of 99.12% achieved after 60 minutes only. The removal effectiveness of acid green dye improved as the percentage of Cu/TiO2 in the composite increased. Cu/TiO2-CWSP composite showed the presence of very fine particles at the surface of composite in SEM micrograph having a zeta Potential value of −20.9 mV. In conclusion, this study presents an innovative approach for efficiently removing acid green dye from aqueous solutions through adsorption-photocatalysis synergy. The findings contribute to addressing the critical issue of water pollution, especially in the textile industry, offering a sustainable path towards cleaner water resources.

Photocatalytic Reduction of VOCs with Ag/Ni-Doped Photocatalyst in Different Temperature and Humidity Environments

The photocatalytic oxidation (PCO) process is one of the most preferred, inexpensive, and environmentally friendly methods for VOC removal. It has been determined that this method can remove a wide range of organic pollutants. The removal of benzene and toluene pollutants, two important VOCs commonly encountered in flue gases, has been studied in the scope of this study using the photocatalytic oxidation method under UVA irradiation. For this purpose, the photocatalytic activity of the photocatalyst increased by the metal/metal doping process. Two different metals, a noble metal (Ag) and a transition metal (Ni), were used together for the doping of TiO2 nanoparticles, and the photocatalysts attached to a glass surface were prepared. Four different doping percentages were used for photocatalysts: 0.5%, 1%, 2.5%, and 5%. Several PCO experiments were conducted under different temperatures (120, 150, and 180 °C) and humidity conditions (25 and 50%). Photocatalytic oxidation experiments were carried out with artificially produced benzene and toluene gases, and the success of the system was evaluated with respect to removal efficiency calculations. The UVA light source was used for the photocatalytic experiments. The results of the study indicated that the removal efficiencies of toluene were found to be higher than those of benzene, and the most suitable conditions were determined to be 50% humidity and a 120 °C environment with the use of a 1% doped photocatalyst.

Research on zinc cobaltate porous mesh materials with different percentages of Sm doping: synthesis, structural and capacitive properties analysis

Sm–ZnCo2O4 doping with different proportions of Sm doping produced oxygen vacancy defects, which improved the performance of the material. The specific capacitance retention of 3% Sm–ZnCo2O4//CNTs asymmetric solid-state devices was 95%.

First investigation into the physical characteristics of GO-Doped CuO-ZnO thin films as a secondary absorption layer in CIGS solar cells

In this work, undoped and graphene oxide (Go) doped CuO-ZnO mixed oxide thin films were deposited on glass substrates by spray pyrolysis technique. The effect of doping concentration on the physical properties of the deposited layers, had been investigated. XRD results of graphene doped CuO-ZnO mixed oxide flms show crystallized graphene phase for high doping percentage of 8 %. The morphological characterization revealed a good homogeneity at the surface with good dispersion of graphene nanoparticles over the entire surface. Optical measurements indicated an increase in transmission and in the band gap energy up to 75 % and 2.75 eV, respectively, occurring as the doping rate increased to the values. The new graphene oxide (Go) doped CuO-ZnO mixed oxide thin films were used to improve the efficiency of CIGS solar cell. The new simulated solar cell FTO/ZnO/CdS/CZO:Go /CIGS/MO,With CZO:Go /CIGS represent the double absorber layer, was studied. An increase in efficiency from 21.5 to 29.68 % was achieved after adding CZO:Go as a second absorber layer which can be explained by the possibility of the second absorber layer to absorb more photons and by band gap engeneering structure of the proposed solar cell.

Atomic Layer Depostion within Polymers Templates for Spatially Controlled Growth and Doped Materials

Today’s nanofabrication techniques require multistep and costly processes in order to fabricate complex, multi-materials nanostructures. Performing atomic layer deposition (ALD) within polymeric templates can offer a simple solution for nanostructure fabrication. In this process, named sequential infiltration synthesis (SIS), high partial pressures and long exposures times lead to inorganic materials growth within polymers. Sequential polymer removal results in polymer-templated inorganic nanostructure. While SIS shows great potential in fabricating large variety of structures, it is currently limited to a single material growth process.In our research, we utilized SIS properties to achieve two different objectives: selective spatial growth and homogenous growth for doped materials. We demonstrated, for the first time, multi-material SIS process with control over the spatial location of each material and fabricate heterostructure nanorods and nanowires. Doping materials were fabricated using simultaneously growth of two precursors.We studied SIS within self-assembled block copolymer (BCP) films and electrospun polymer fibers and developed multi-material SIS, where two metal oxides are grown together in a single process, with precise control over their location within the polymer template. We used cylinder forming poly (styrene-block-methyl methacrylate) (PS-b-PMMA) films and electrospun PMMA as the polymeric template and DEZ (diethyl zinc), TMA (trimethyl aluminum) as the organometallic precursors. We achieved control over the growth location of each metal oxide by tuning the organometallic precursors diffusion time, forming heterostructures after polymer removal. A short exposure of the first precursor resulted in a limited growth only at the outer part of the polymer, while a long exposure of the second precursor enabled it to reach the full depth of the polymer besides the section which was already occupied by the first precursor. An exposure to water completed the cycle. We demonstrated this process on BCP films to achieve AlOx-ZnO nanorods arrays (Figure 1A-B) and on polymer fibers to achieve AlOx-ZnO fibers (Figure 1C-D). We performed structural characterization using scanning and transmission electron microscopy (SEM and TEM, respectively) to characterize the nanowires and nanorods as well as three-dimensional characterization scanning TEM (STEM) tomography and energy-dispersive X-ray spectroscopy (EDS) STEM tomography in order to probe the structure and the chemical composition in 3D. To fabricate doped materials, we applied SIS process with TMA and DEZ in the same exposure within homopolymer film. We preformed SEM-EDS to quantify each element and evaluate the doping percentage. This research opens new pathways for multi-materials nano scale structure fabrication through ALD-based growth within polymers.Figure 1 caption: AlOx-ZnO nanorods array: cross-sectional views using A) EsB detector and B) secondary electron in-lens detector. AlOx-ZnO fibers C) EDS map D) HAADF image [1] R. Azoulay et al., Small, 15, 1904657 (2019).[2] R. Azoulay et al., ACS Appl. Nano Mater., 5, 7228 (2022). Figure 1

Efficient synthesis and characterization of novel BiVO4/ZnO/graphene composites to study enhanced photocatalytic activity for organic pollutant degradation

This study reports the efficient synthesis and thorough characterization of novel graphene doped BiVO4/ZnO nanocomposites. Among these doping percentages, 3% BVZO/G is optimized composite as it shows the highest photocatalytic performance i–e 98% and 95% among all the doping percentages. Under the visible light exposure λ⩾420nm , the decomposition of tetracycline (TC) and methylene blue has been studied to evaluate the photocatalytic activity of the prepared composites. The characterization techniques such as photoluminescence spectroscopy, UV visible (UV-Vis) spectroscopy, x-ray diffraction, scanning electron microscopy, and Fourier transform infrared have been used to investigate the optical, structural, morphological, and vibrational properties respectively. The findings of the research indicate that the doping of graphene resulted in enhanced absorption of visible light and efficient mitigation of charge carrier recombination. To check the stability of optimized photocatalyst, reusability test has been performed. Additionally, role of active species has been examined using different scavengers in trapping experiment. By understanding the composite material for the enhanced photocatalysis, the results of this research help to design a sustainable and efficient photocatalyst.

Synthesis and characterizations of molybdenum-doped titanium dioxide nanoparticles for photocatalytic removal of chromium (VI) from aqueous solutions

The photocatalytic removal of toxic heavy metals using titanium dioxide nanoparticles is an emerging technology for environmental remediation. Pure and Mo-doped TiO2 nanoparticles were synthesized using a modified sol-gel process, and then characterized by field emission scanning electron microscopy (FE-SEM) and particle size analysis (PSA) to determine their morphology and size, while X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDS) were used to determine their crystalline phase and composition. Brunauer–Emmett–Teller (BET) analysis was used to measure the surface area and porosity of the synthesized catalysts applying Langmuir and BET models. The catalyst was mainly composed of spherical anatase TiO2 particles, with a diameter in the range of 15–75 nm, and the maximum doping percentage of Mo was 3.3%. The Langmuir surface area of pure and Mo-doped TiO2was 91.63 and 128.73 m2/g, and the average pore volume was 0.029 and 0.032 cm3/g, respectively. The nanomaterials were used in the photocatalytic removal of Cr(VI) from aqueous solutions, and the adsorption isotherms indicated that the catalyst uptake (qe,max) amounts for Mo-doped TiO2 and pure TiO2 were 12.5 and 6.5 mg/L, respectively. Moreover, the equilibrium removal percentage was improved from 41% for pure TiO2 to 90% for Mo-doped TiO2, which confirms that photocatalytic activity is enhanced by doping TiO2 with molybdenum.

Rapid adsorption and simultaneous photocatalytic effect of Ru doped flower like antimony tungstate

Ruthenium (Ru) doped antimony tungstate microflowers, prepared through hydrothermal process, have been investigated for simultaneous adsorption and photocatalysis. The pattern of evolution of microflower structures, however, can be tailored by the synthesis period. This change is observed from the field effect scanning electron microscope and transmission electron microscope images. A possible mechanism behind this morphological change has been developed. An argument based on the zeta potential may be responsible for this distinct morphology due to the strong electrostatic interactions. The variation of a particular x-ray diffraction peak corresponding to the plane with variation of Ru doping percentage shows the decrease in crystallinity along the perpendicular direction to this plane. Besides, the optimum Ru doping percentage is evaluated on the basis of photocatalytic efficiency towards methylene blue (MB) degradation under visible light. The highest dye removal efficiency is observed for 2% Ru doped Sb2WO6 (SWO) adsorbing 97% of the MB dye followed by photocatalytic degradation of almost 64% of the remaining dye in 80 min. Furthermore, using different dyes, it is concluded that Ru–SWO showcases high adsorption toward the cationic dyes while it neither adsorbs the anionic dye nor displays photocatalytic degradation.

Ferroelectric relaxor behaviour in Bi and K/Na-substituted solid solutions of tetragonal tungsten bronze PbNb2O6

Lead metaniobate (PbNb2O6 or PNO) belongs to the tetragonal tungsten bronze (TTB) family. There are three polymorphic forms of PNO: tetragonal (stable at high temperature), rhombohedral (stable at room temperature), and the metastable orthorhombic phase, which has ferroelectric properties. The metastable orthorhombic phase is formed by quenching from the high temperature tetragonal phase due to the reconstructive/sluggish tetragonal to rhombohedral phase transition. A suitable ionic substitution can also lead to the stable ferroelectric orthorhombic phase. Stabilization of the ferroelectric orthorhombic phase by ionic substitution, and the formation of ferroelectric relaxors with increased amounts of dopants is hereby reported for the compositions Pb(1-x)Bi(x/2K(x/2)Nb2O6 and Pb(1-x)Bi(x/2)Na(x/2)Nb2O6. The solid solutions of PNO showed evidence of linked dielectric relaxation and ferroelectricity, validating the distinctive ferroelectric relaxor behaviour for the compositions Pb0.6Bi0.2K0.2Nb2O6 and Pb0.6Bi0.2Na0.2Nb2O6. As the concentrations of bismuth (Bi) and potassium/sodium (K/Na) dopants increased, the Curie temperature (Tc), or the temperature corresponding to the maximum dielectric permittivity (Tm), dropped. By using the Uchino-Nomura relation as a modification of the Curie-Weiss law, it was established that the Pb0.6Bi0.2K0.2Nb2O6 solid solution exhibit higher degree of diffuseness than Pb0.6Bi0.2Na0.2Nb2O6 at the transitions. The width of the ferroelectric hysteresis loop increased as the percentage of dopants increased, from x = 0.1 to x = 0.3. At x = 0.4, a narrow ferroelectric hysteresis loop and a frequency-dependent Tm abruptly formed, which is indicative of a ferroelectric relaxor.

Thermal conductivity suppression in uranium-doped thorium dioxide due to phonon-spin interactions

In this work, impact of low level of uranium (U) atom substitution on thermal conductivity of thorium dioxide (ThO2) is investigated. ThO2 is an electronic insulator with a wide optical band-gap and no unpaired electrons whose thermal transport is governed by phonons. U-substitution introduces unpaired f-electrons resulting in paramagnetic behavior of UThO2 at room temperature, which significantly suppresses its thermal conductivity. A single crystal of UThO2 with graded composition of U is grown using a hydrothermal synthesis method, and thermal conductivity measurements are performed in regions with uniform composition of U at levels of 0%, 6%, 9% and 16%. Measured thermal conductivity profiles over 77–300 K temperature range are analyzed using an analytical expression for phonon-mediated thermal transport based on Klemens-Callaway model. Temperature dependent thermal conductivity is found to deviate significantly from the Rayleigh scattering trend expected for a simple substitutional point defect with a small perturbation to mass and interatomic forces. With the resonant scattering term, observed large suppression of thermal conductivity at low temperatures can be closely reproduced. Additionally, the extracted phonon-spin coupling constants imply a nonlinear relation of phonon-spin interaction intensity with respect to U doping percentage. Our study reveals how phonon-spin scattering contributed by unpaired f-electrons in U atoms influences thermal transport in the UThO2 system.

Comparison of the Electrocatalytic Performances of Fe‐Doped NiCo‐Layered Double Hydroxide (LDH) and a NiCo‐LDH/Fe3O4 Nanocomposite in the Oxygen Evolution Reaction

AbstractBecause of its important role in water splitting, electrocatalysts of water oxidation reaction (oxygen evolution reaction; OER) attracted much attention. Recently, many catalysts based on Layered Double Hydroxides (LDHs) have been introduced for this purpose. As a result, one of the main topics of the present study on renewable energies is the development of efficient and economical catalysts for OER reactions. So, in this paper, NiCo‐layered double hydroxide (with [Ni2+]/[Co3+]=3 : 1 molar ratio), NiCoFe‐LDH (with [Ni2+]/[Co3++Fe3+]=3 : 1 molar ratio, and different percentages of iron doping (0.25, 0.5, and 0.75), and NiCo‐LDH/Fe3O4 nanocomposite were synthesized by the coprecipitation method at pH=10. The prepared materials were characterized by FT‐IR, XRD, XPS, and TGA. The morphological aspects of samples were investigated by FESEM and TEM techniques. Pore size distribution, surface area, and total pore volume of materials were determined by using BET surface analysis. Finally, the performance of the synthesized samples was investigated as an electrocatalyst for the water oxidation reaction.

Experimental and theoretical DFT study of hydrothermally synthesized MoS2-doped-TiO2 nanocomposites for photocatalytic application

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have shown considerable potential in photocatalytic applications. In the present research, the hydrothermal technique was used to prepare 2D MoS2, TiO2, and 2D layered structured with basic ration formulation as MoS2(1-x)TiO2x (X = 5 %, 10 %w/w) nanocomposites as an effective catalyst for degradation of aqueous methylene blue (M.B.) under controlled light radiations. The GGA-PBE computed approach was used to estimate the energy bandgap (Eg), electronic, and optical properties of 2D MoS2, TiO2, and MoS2(1-x)TiO2x (X = 5 %, 10 %) by density functional quantum computing simulation. The TiO2 nanospheres were efficiently decorated on the surface of layered of MoS2 and some of nanospheres mixed into layered matrix. Scanning Electron Microscopy (SEM) and X-ray diffraction (XRD) investigate the morphology and crystal phase structure of the samples. Experimental and theoretical results related the energy bandgap (Eg) of the 2D layered structure of MoS2, TiO2, and MoS2(1-x)TiO2x (5 %, 10 % w/w) shows a decrement trend 1.56, 2.4, 1.02, and 0.5 eV respectively with increasing doping percentages. The observed extra gamma active states of MoS2(1-x)TiO2x (X = 5 %, 10 % w/w) are found to be generated and contributed to the creation of conduction and valance bands as the result of the decremented of their energy bandgap. The optical conductance was increased from 2.5 to 9.8 Ω−1cm−1 with a bandgap decrement of 2.4–0.5 eV in the ultraviolet–visible spectrum region. Exploration of theoretical and experimental results of this work, the MoS2(1-x)TiO2x (5 %, 10 % w/w) show increment in absorbance from 1.4 × 105 to 4.5 × 105 cm−1 and 0.6 cm−1 to 1.25 cm−1 respectively. The most interesting result is at the peak of 650 nm wavelength, as it is considered a proficient photo-catalyst material due to the enhanced absorption surface area for exposure of light and decrement of the photo-generated charge recombination rate and increment of the charge transportation with the inclusion of TiO2. The breakdown of methylene blue within 15 min confirmed that the prepared MoS2(1-x)TiO2x nanocomposite was a stable, and cost-effective material for photocatalytic application.

Bismuth-doped TiO2 enable solar photocatalytic water treatment

Sol-gel coprecipitation method provides a facile and affordable synthesis methodology for bismuth-doped TiO2 photocatalysts. The effective doping of TiO2 widens the photoactivity of the catalyst enabling effective electron excitation under visible light irradiation. Different doping percentages of bismuth can modulate the photocatalytic response and provide engineered control over the bandgap energy of the semiconductor. Characterization demonstrated that 5 % doping provides an optimum balance on the photocatalytic properties as well as the effectiveness in the treatment of indigo carmine (IC) used as a model organic pollutant compound. This by increasing the size of the anatase crystals to 65.87 nm, improving the specific surface to 116.3 m2/g, and lowering the Egap of TiO2 to 2.98 eV.

Synthesis and optical characterization of Fe doped Barium Titanate (BaTiO3) nanoparticles

The perovskite family includes a variety of titanates used in a variety of electrical ceramic applications such as electronic, electro-optical and electro-mechanical ceramic applications. Barium Titanate (BaTiO3) is a member of a large family of compounds with the general formula ABO3 called perovskites. This paper includes the study of the properties of pristine and Iron (Fe) doped Barium Titante (BTO) at different concentrations synthesized using the sol–gel method. The concentration of dopants varies from 0 to 3 mol% in the specimens. The structural, surface morphology and optical properties of pure and Fe ion doped Barium Titanate nanoparticles have been investigated using X-ray diffraction (XRD), UV–Visible spectroscopy and Photoluminescence spectroscopy. X-ray diffraction (XRD) was used to study the structure and crystallite size of BTO nanoparticles. The results from X-Ray diffractogram shows that the particle size lies in the range 23 to 29 nm. Lattice strain of each samples were calculated using Williamson-Hall plot (WH plot). Bandgap energy of the samples were calculated using UV– Visible spectroscopy. For pristine BaTiO3 the bandgap is found to be 3.23 eV. It is observed that as the doping percentage increases the bandgap of the material decreases. Photoluminescence measurements revealed that the specimen show ultraviolet emission along with emission in blue region.

Molybdenum-doped BiVO4 thin films: Facile preparation via hot-spin coating method and the relationship between surface statistical parameters and photoelectrochemical activity

Molybdenum-doped BiVO4 thin films were uniformly coated on indium-doped tin oxide (ITO) substrates via a facile modified hot spin coating (HSC) technique. The prepared layers were used as photoanode in a photoelectrochemical (PEC) cell. Different percentage of Mo dopant was examined to maximize the photo-current density (J) of the layers. The highest J value (872 ± 8 μA/cm2) was obtained by 5 atomic% of Mo doping. After that, the surface topographies of these samples were changed by varying the initial precursor concentration from 27 to 80 mM. The relation between surface topographies and the PEC activity of Mo-doped BiVO4 thin films was investigated from microscopic point of view by calculating the surface roughness exponent of α, and a mechanism for the PEC activity of Mo-doped BiVO4 photoanodes was proposed accordingly. The sample with a small roughness exponent provided a surface with jagged microscopic fluctuations which may trap the air molecules between the electrolyte and sample surface, hindering the fine atomic interaction for photo-generated electron-hole transition. Therefore, the layer with the highest roughness exponent (2α = 0.48 ± 0.03), which means the smoother microscopic surface and better interfacial contact with the electrolyte, exhibited the best PEC activity.

The Gas Sensitivity Properties of Nano Ferrite CuxAl0.3-XNi0.7Fe2O4 Synthesized by Sol-Gel Method

This study includes the preparation of the ferrite nano ferrite CuxAl0.3-XNi0.7Fe2O4 (where: x = 0, 0.05, 0.1, 0.15, 0.2, 0.25, 0.3) M using the auto combustion method (sol-gel), and citric acid was used as fuel for auto combustion. The ferrite samples were checked by X-ray diffraction (XRD), Field Emission Scanning Electron Microscopes (FE-SEM), and energy dispersive X-ray analyzer (EDX). They showed that the prepared compound has a face-centered cubic structure (FCC). The lattice constant increases with an increase in the percentage of doping of the copper ions, and a decrease for the aluminum ion and that the compound is porous and its grains are spherical, and there are no other elements other than the elements involved in the preparation of the compound. Which means that it is of high purity. The gas sensing system revealed that the nano ferrite has good sensitivity to hydrogen sulfide (H2S) gas.

To study the synthesis and characterization of SrO–MgO–SiO2 system in biological and dielectric applications

Ternary ceramic samples comprising SrO–MgO–SiO2 with varying element concentrations were synthesized using the solid-state method and sintered at 800°C. To characterize the properties of the samples, several analysis techniques were employed. X-ray Diffraction (XRD) was utilized for structural analysis, FTIR spectroscopy was used to identify bonds, SEM provided morphological analysis, biocompatibility was assessed through Vitro testing, microhardness was evaluated using Vickers testing, and dielectric analysis was performed to investigate electrical properties. The XRD spectra confirmed the presence of a ternary phase known as Magnesium Strontium Di-silicate [MgSr2Si2O7], with no impurity peaks detected. FTIR spectroscopy indicated the formation of Magnesium silicate, displaying vibrational bands corresponding to SiO4 and MgO, which further confirmed the existence of MgSr2Si2O7 in the samples. The Vitro test results revealed that all samples exhibited biocompatible behavior, with moderate pH and weight loss. SEM images provided insights into the morphology of the system and confirmed the development of an appetite layer on the sample surfaces. The particle size of the samples was measured to be approximately 116.48±9 nm. Vickers hardness testing yielded microhardness values ranging from 378.1 to 400.2 HV. Dielectric constant measurements demonstrated that the AC conductivity of the SrO–MgO–SiO2 system increased as the percentage of Mg doping increased.

Analysis of material composition with energy dispersive of X-ray spectroscopy method

ZnO is a semiconductor material with an energy band gap of 3.37 eV at room temperature, this causes ZnO to work in the UV light range. In this study, ZnO material doped with Nitrogen with a doping percentage was 10%. Deposition of ZnO: N material was carried out on a glass substrate using a spray coating technique. A composition test was performed using SEM-EDX. SEM-EDX is a device that has a wide magnification range to observe a sample from an overall view, with images of nanostructures at very high magnification. SEM-EDX serves to analyze topography, morphology, composition, and scale information from SEM image images on a material. Composition testing using SEM-EDX tools can result in pure impurity, pure oxide, and pure. For the results of pure impurity test results were obtained in the form of elements of elements C, N, O, and Zn with a mass of 14.46%, 0.53%, 54.70%, and 30.30%. For the oxide test on ZnO doping N 10%, the results were obtained in the form of elements of N, O, and Zn elements, each with a mass of 2.45%, 19.17%, and 78.38%. For pure test on ZnO doping N 10%, the results are in the form of elements of N, O, and Zn elements, each with a mass of 0.90%, 57.80%, and 41.31%.

Enhanced stability and optoelectronic properties of double perovskite Cs2AgSbI6 by Br doping for solar cells

Lead halide perovskite photovoltaic cells offer much higher energy conversion efficiency. However, new non-toxic semiconductor compounds are being sought due to instability and lead toxicity. The stable double perovskite Cs2AgSbI6 is the base material for this investigation since it has been demonstrated to be an effective and ecologically replacement for lead halide perovskites. In this study, the cubic space phase of the bromine alloy double inorganic halide perovskite Cs2AgSb(I1−xBrx)6 was analyzed using density functional theory (DFT). The band gap was widened with increasing percentages of Br doping, and theoretical calculations were used to determine the best structures for these compounds. Theoretically, its optoelectronic characteristics are computed using the GGA-PBE and GGA-TB-mBJ approximations. We found that Cs2AgSb(I1−xBrx)6 is stable under typical conditions with a band gap below 2 eV. Thus, it is advised to utilize Cs2AgSb(I1−xBrx)6 for solar cell applications. The spectroscopic limited maximum efficiency (SLME) technique was used to analyze theoretical efficiency (η), with the gap energy, absorption coefficient, and absorption estimated from the typical AM1.5G solar spectrum at 25 °C serving as key input factors. We attained an η of 18 % for Cs2AgSb(I0.50Br0.50)6 at a thickness of 800 nm.

Visible light photo catalytic and optical property evolution of combustion method prepared copper doped nickel ferrite nanoparticles

By using a simple microwave combustion technique, copper-doped NiFe2O4 spinel nanoparticles were formed. The XRD patterns demonstrated that Cu doping into NiFe2O4 spinel resulted in the creation of α-Fe2O3 secondary phase in addition to the cubic structure that already existed. Using SEM, morphological investigations revealed irregular shapes and severely agglomerated different grain boundaries. In an optical analysis, it was discovered that the band gap narrowed as the Cu2+ doping percentage raised. The octahedral site (Ni-O) and tetrahedral site (Fe-O) stretching modes of the Cu-doped nanoparticle structure were linked to bands at 548, 514, and 649cm-1 from FT-IR analysis. Cu-doped nanoparticles were examined for their enhanced photocatalytic degradation of RhB in visible light irradiation under atmosphere condition. The performance of pure NiFe2O4 as a photocatalyst was discovered to be greatly impacted by the Cu-doping. Additionally, the photo-catalytic effect was optimized (efficiency rose from 88.26 percent, x = 0-99.85 percent, x = 0.4) with the rise of Cu-doping into x=0.4. An in-depth discussion was had on the potential photocatalytic mechanism. The simultaneous improvement of photocatalytic activities serves as proof that Cu-doped NiFe2O4 spinel nanoparticles will perform well in multifunctional photochromic devices in future.