Increase In Doping Concentration Research Articles

[formula omitted] leaves mediated combustion synthesis of Tb[formula omitted] doped Zn2V2O7 nanoparticles: Color tunable photoluminescence and electrochemical studies for display and supercapacitor applications

A new series of Tb3+ doped Zn2V2O7 (ZV) nanoparticles (NPs) at different concentration from 1 to 9 mol% was synthesized by Menthaspicata leaves extract mediated solution combustion method. On Tb3+ doping, the diffraction pattern matches well with the monoclinic crystal structure with the C2/c(2/m) space group of ZV host matrix. The surface morphology tuned from irregular shaped NPs to hexagonal shaped NPs with variation in dopant concentration. The crystallite size estimated from Scherrer’s method matches well with the transmission electron microscopy analysis. The optical band gap determined from Tauc’s plot utilizing UV–Visible absorption was tuned from 3.061 to 3.035 eV with increase in dopant concentration. Under 266 nm excitation, the emission of Tb3+ ions from Tb3+-doped ZV NPs is observed, with the intensity of emission showing sensitivity to the concentration of Tb3+ ions. The optimal doping content is determined to be 7 mol %. The CIE coordinates clearly indicates the tuning of the emission color from green to blue region with increase in dopant concentration. The average color coordinated temperature was found to be 7895 K showing the cooler appearance. Further, cyclic voltammetry analysis offers valuable insights into redox reactions, electrode kinetics, and overall electrochemical behavior, while Electrochemical Impedance Spectroscopy (EIS) provides information on ion transport kinetics. Galvanostatic Charge–Discharge (GCD) analysis revealed supercapacitance values ranging from 79.43 to 133.26 F/g at 10 mV/s with increasing dopant concentration. These findings underscore the potential of this material for use in energy storage and display technology applications.

Defect evolution induced by low-dose neutron irradiation and elastoplastic deformation mechanism of indium-doped GaN materials

The low-dose neutron irradiation defect evolution and nanoindentation response of indium (In)-doped gallium nitride (GaN) materials are investigated in this work, which is of great significance for improving the reliability and safety of nitride semiconductors in neutron irradiation environments, as well as for clarifying their mechanical properties. A numerical simulation approach based on molecular dynamics (MD) is utilized to construct wurtzite GaN models comprising Indium doping concentrations up to 2%. Nanoindentation simulations are performed to analyze the elastoplastic deformation mechanisms of the c-plane and m-plane In-doped GaN materials. The low-dose neutron irradiation process of In-doped GaN is further simulated, and its structural changes and defects evolution are analyzed. The indentation hardness of the c-plane GaN decreases and its Young’s modulus increases as the doping concentration increases. Increases in both the indentation hardness and Young’s modulus are seen for the m-plane GaN with the increasing doping concentration. Moreover, the doping of indium suppresses the plastic deformation both in the c-plane and m-plane GaNs. Two types of prismatic loops formation mechanisms are unraveled, i.e. the “nested shear loops pinch-off” mechanism in the m-plane perfect GaN, and the “lasso-shape shear loop pinch-off” mechanism in the m-plane In-doped GaN. When subject to low-dose neutron irradiation, In-doped GaN materials exhibit higher resistance to the generation of irradiation defects. As the doping concentration increases, the amounts of phase transformation, Frenkel pairs, and amorphization decrease.

Enhanced photoluminescence and structural properties of Zn-doped anatase TiO2 nanoparticles

Undoped and zinc-doped TiO2 nanoparticles (NPs) were synthesized by the sol–gel method. The XRD spectra revealed that both synthesized undoped and Zn-doped TiO2 NPs remain in the anatase phase after calcined at 500 °C. The crystallite size was increased from 17 to 52 nm as the Zn content was increased from 0 to 0.2 mol%, which implies also a decrease of the micro-strain and surface area. The agglomerated spherical-like morphology with a diameter of roughly 10–20 nm was shown by SEM and TEM micrographs. The bandgap values were found to be decreased from 3.2 to 3.0 eV when Zn concentration increased from 0 to 0.2 mol%. A reduction in bandgap with an increase in dopant concentration may due to the increased in crystallite size along with enhanced lattice parameters (i.e., a and c) and d-spacing. From PL spectra, all samples exhibited a broad emission band in the visible region of about 400–500 nm centered at 430 nm. The highest PL emission was obtained for 0.2 mol% Zn doping. The broad PL emission over the visible range is greatly reduced at 0.4 mol% Zn due to concentration quenching. It is suggested that the Zn2+ doping induced oxygen vacancies which could promote the photoluminescence processes.

Effect of lattice defects on crystal structure and microwave properties of Ba(Ga1/2Ta1/2)O3 doped Ba(Zn1/3Nb2/3)O3 ceramics

Traditionally, B-site cation ordering structure in Ba(B′1/3B″2/3)O3 based ceramics with complex perovskite structure is considered to be the dominant factor in determining the dielectric loss. The crystal structure of BZN-BGT ceramics changes to the B-site disordering from B-site 1:2 ordering accompanying with remarkably reduced dielectric loss. Ba(Ga1/2Ta1/2)O3 doping also inhibits the formation of Nb-rich secondary phases induced by Zn volatilization on the surface of BZN-BGT ceramics as well. The conductive activation energy Ea, an energy required for electrons to escape from the traps, increases to 0.55eV from 0.40eV, indicating the decrease of lattice defects concentration. As Ba(Ga1/2Ta1/2)O3 doping concentration increases, the dielectric thermal relaxation process of BZN-BGT ceramics weakens and the electrical conductivity decreases. These results indicate that the dielectric loss of BZN-BGT ceramics containing volatile Zn could be controlled by the lattice defects and secondary phases rather than B-site 1:2 ordering structure.

Electrostatic doping tunable magnetic transition and half-metallicity in the monolayer CrCTe3

The electrical manipulation of the magnetic transition and spin-polarized states has attracted extensive attention in the field of spintronics. In this work, we perform a detailed study on the electronic and magnetic properties of the carrier-doped monolayer CrCTe3 by using first-principles calculation. It is found that, the magnetic transition from Néel-antiferomagnetic (nAFM) to ferromagnetic (FM) is observed in the case of the electron doping, while for hole doping a magnetic transition sequence of nAFM → zigzag-AFM → FM is observed in the monolayer CrCTe3. Interestingly, the carrier doping induced FM ground state always exhibits half-metallicity with full spin polarization. Moreover, the spin polarity of the half-metallic electronic states is opposite for electron and hole doping, meaning that the spin polarization direction can be tuned by manipulating a gate voltage. The Monte Carlo calculations show that the magnetic transition temperature of the doped FM CrCTe3 is rapidly increased with the increasing doping concentration and is extremely expected to achieve room temperature at a suitable doping concentration. These findings demonstrate that the monolayer AFM system possesses a potential application in spintronic devices with electrically tunable spin polarization.

In–Sn–Cu co-doped yttrium iron garnet ferrite: Magnetic and dielectric properties

With the miniaturization and integration of electronic components, there has been widespread attention on yttrium iron garnet ferrite (YIG) with high saturation magnetization, high dielectric constant, and low ferromagnetic resonance linewidth. In this work, In–Sn–Cu co-doped YIG ferrite with the chemical formula Y3Fe4.8-xCu0.1Sn0.1InxO12 (x = 0.05, 0.10, 0.20, 0.30) was prepared. The properties of the samples, including their microstructure, crystal structure, magnetic attributes, and dielectric properties, were adjusted through the regulation of the indium doping levels. The microscopic and crystal structures confirm the effective doping of ions in YIG, resulting in an expansion of the lattice parameters. Both the saturation magnetization (Ms) and the ferromagnetic resonance linewidth (ΔH) are influenced by the level of doping. The maximum value of Ms is observed at x = 0.10 (30.86 emu/g), whereas the minimum value of ΔH occurs at x = 0.20 (35 Oe). Additionally, increasing doping concentration also leads to an upward trend in both resistivity and dielectric constant, with the lowest dielectric loss occurring at x = 0.15. This study will provide an effective approach for developing high-performance YIG ferrite that meets the requirements of miniaturization and integration.

Photochemical optimization of fluorescent dye-doped PDMS for enhanced luminescent solar concentrator performance

Luminescent solar concentrators (LSCs) that incorporate organic dyes face challenges such as self-absorption loss and aggregation-caused quenching (ACQ) as doping concentration increases, limiting the dye loading capacity. Particularly for dyes with a small Stokes shift, losses due to self-absorption or quenching are prominent even at low concentrations, hindering the attainment of high power conversion efficiency (PCE) in LSCs. Additionally, exposure of the dye-impregnated polymer matrix to oxygen, moisture, UV light, and other factors leads to a decrease in luminescence efficiency and stability due to the photooxidation reaction of the phosphor. This study presents a facile approach for enhancement of the efficiency and environmental stability of coumarin 6 (C6) dye-doped polydimethylsiloxane (PDMS) LSC through ultraviolet ozone (UVO) treatment. Photocleavage of the C6 dimer into a C6 monomer through UVO treatment leads to a significant enhancement in luminescence. Additionally, thin SiOx layers formed on both sides of the LSC not only assist in capturing luminescent light more efficiently but also block the penetration of oxygen and moisture into the LSC, resulting improved device stability. UVO-treated LSC shows approximately 32 % improvement in PCE compared to bare LSCs and exhibits significantly better stability during the 30-day long-term performance test.

Studies of optoelectrical properties of Mn-doped ZnO nanostructure for supercapacitor and photodetector applications

The transition metal Manganese (Mn)-doped Zinc Oxide (ZnO) nanoparticles were synthesized using the sol-gel method. The nanomaterials ZnO and Zn1-xMnxO (x=0–0.15) formation, their crystal structure, and morphological properties were confirmed by X-ray Diffraction (XRD) and Scanning Electron Microscope (SEM) analysis of the materials. All the studied materials show hexagonal wurtzite structure with the particle size in nanometres. The optical properties of transition metal Mn-doped ZnO nanomaterials were explored by the absorption and transmission spectra. The band gap of the nanomaterials decreases with the increase of Mn doping concentration from 3.01 to 3.26 eV. The mobility and electrical conductivity of the Mn-doped ZnO thin films show a decreasing trend with the increase of Mn doping concentration in ZnO. The Mn-doped materials were investigated for supercapacitor and photodiode applications. The Zn0.90Mn0.10O nanomaterials show the maximum specific capacitance, power and energy density of ∼ 220 F/g, 2202 W/kg and 1.15 Wh/kg, respectively. The electrochemical properties confirm that the doping of ZnO opens a new window for its application in energy storage devices. The ZnO and Mn-doped ZnO were used as an electron transport layer in perovskite MAPbI3 photodiodes. Under the Illumination of blue (465 nm) light, the highest detectivity of undoped ZnO perovskite photodiode is ∼4.5×1010 Jones and doped ZnO perovskite photodiode is 0.7×1010 Jones, respectively. The low mobility of charges and unfavorable energy level alignment of Mn-doped ZnO with MAPbI3 thin films is the reason for the decrease in photo detectivity. Our studies demonstrate that the Mn-doped ZnO nanomaterials and their thin films have avenues for potential application in energy storage devices and photodiodes of perovskite MAPbI3.

Understanding Chromium Slag Recycling with Sintering-Ironmaking Processes: Influence of Cr2O3 on the Sinter Microstructure and Mechanical Properties of the Silico-Ferrite of Calcium and Aluminum (SFCA).

Chromium slag is a solid waste of chromium salt production, which contains highly toxic Cr(VI) and significant amounts of valuable metals, such as Fe and Cr. Recycling chromium slag as a raw sintering material in sintering-ironmaking processes can simultaneously reduce toxic Cr(VI) and recover valuable metals. A micro-sintering experiment, compressive strength test, microhardness test, and first-principles calculation are performed to investigate the influence of Cr2O3 on the sintering microstructure and mechanical properties of the silico-ferrite of calcium and aluminum (SFCA) in order to understand the basis of the sintering process with chromium slag addition. The results show that the microstructure of SFCA changes from blocky to interwoven, with further increasing Cr2O3 content from 0 wt% to 3 wt%, and transforms to blocky with Cr2O3 content increasing to 5 wt%. Cr2O3 reacts with Fe2O3 to form (Fe1-xCrx)2O3 (0 ≤ x ≤ 1), which participates in forming SFCA. With the increase in Cr doping concentrations, the hardness of SFCA first decreases and then increases, and the toughness increases. When Cr2O3 content increases from 0 wt% to 3 wt%, the SFCA microhardness decreases and the compressive strength of the sintered sample increases. Further increasing Cr2O3 contents to 5 wt%, the SFCA microhardness increases, and the compressive strength of sintered sample decreases.

Effect of Nb Doping on the Electrical Contact Properties of AgNi Contact Materials

AgNi contact materials have received widespread attention with the acceleration of the process of replacing AgCdO contact materials. However, the practical applications of AgNi contact materials are limited due to its disadvantage of poor resistance to melting welding. Firstly, following the first principles of the density functional theory, we simulated and tested an interfacial model of AgNi doped with varying amounts of Nb. Next, we fabricated AgNi electrical contact materials. Subsequently, we conducted electrical contact tests. Finally, the impact of Nb doping on the arc erosion behavior of AgNi electrical contact materials was analyzed. The results indicate that, with an increase in Nb doping content, the electrical contact performance and the degree of arc erosion exhibit a trend of initially decreasing and then increasing, which aligns with the simulation results. The mean values of arc energy, arc duration, and welding force for the material doped with 4.55% Nb were 181.02 mJ, 9.43 mS, and 38.45 cN, respectively. Moreover, the anode is more responsive to changes in Nb content compared to the cathode. The introduction of Nb enhances the viscosity of the molten pool in the AgNi electrical contact. Furthermore, the mechanisms of grain boundary strengthening and solid solution strengthening by Nb improve the weld performance resistance of the contact.

Structural, Optical, and Magnetic Properties of Mn Doped Zn3P2 Diluted Magnetic Semiconductor Nanoparticles

Mn-doped Zn3P2-diluted magnetic semiconducting nanoparticles (Zn0.98Mn0.02P2, Zn0.96Mn0.04P2, Zn0.94Mn0.06P2, and Zn0.92Mn0.08P2) were synthesized by a conventional solid-state reaction followed by a subsequent vacuum annealing process. The formation of a tetragonal structure of pure and Mn-doped Zn3P2 was confirmed by X-ray diffraction studies, with no evidence of any further phases. Lattice parameters dicrease from a = b = 8.133 Å, c = 11.459 Å to a = b = 8.041 Å, c = 11.410 Å with increasing dopant concentration. Scanning electron microscpy analysis indicated that all samples that underwent doping exhibited agglomeration in the scanned range of 500 nm. Energy-dispersive X-ray analysis confirmed the presence of Zn, P, and Mn in the samples, and all of the synthesized samples achieved a nearly atomic ratio. In the diffused reflectance spectra, the optical band gap increases from 1.398 to 1.418 eV with increasing dopant concentration. PL has provided evidence indicating that the emission intensity of all doped samples remains constant with increasing dopant content from x = 0.02 to 0.08, with different excitation wavelengths (215 and 290 nm). Vibrating sample magnetometer tests confirmed the presence of ferromagnetic behavior at room temperature, and a positive correlation between saturation magnetization and Mn content, with the magnetic moment increasing from 0.0640 to 0.1181 emu g−1 with an increase in dopant content.

Fabrication, characterization and application of W/N co-doped zinc oxide nanoparticles as a promising photoanode for dye-sensitized solar cells

In the present investigation, undoped, W doped, and W/N co-doped ZnO nanoparticles were prepared by sol–gel route. Here, the ZnO layers were fabricated via the doctor blade method. Hexagonal wurtzite structure is determined by XRD studies. The formation of a hexagonal wurtzite structure was observed from X-ray powder diffraction (XRD) resulting in a slight increase in crystallite size with an increase in doping content. The UV observation shows that W/N co-doping shifted the absorption spectra towards a higher wavelength and reduces the band gap energy. The EDS spectra confirms the high purity and triumphant doping of the W(tungsten) and N(nitrogen) into the ZnO lattice. The morphology of undoped and W/N co-doped ZnO nanoparticles was demonstrated by using FESEM and HRTEM. The 2 % W and 1.5 % N co-doped ZnO photoanode based DSSC (dye-sensitized solar cells) gained the highest short circuit current density of 8.44 mAcm−2 having an open-circuit voltage of 0.65 V, and PCE (power conversion efficiency) of 3.60 %.

Structures and properties of carbon-doped silicon as anode material for lithium ions battery: A first-principles study

Anode materials for lithium ions battery have been much less investigated than the cathode materials. Recently, silicon-based anode materials have attracted attentions for its high theoretical capacity. In the present work, the structures and properties of carbon doped silicon as the anode materials of lithium ions battery were investigated by first-principles method. In the doping concentration range from 1.56 % to 15.6 %, the results show that the stronger Si–C covalent bond leads to a higher bulk modulus of the carbon-doped silicon structures. The band gap of the doped structure decreases with increased doping concentration. The volume expansion can be suppressed by the doping of the carbon atom, and the structures with higher carbon concentrations had a better suppression effect. Meanwhile, the lithium diffusion energy barrier increases with the carbon doping concentration.

Effect of Different Concentrations of Co Doping on the Properties of η′‐Cu6Sn5 and Ni3Sn4: First‐Principles Study

In the field of electronic packaging, Ni3Sn4‐based and η′‐Cu6Sn5‐based compounds are common Sn‐based intermetallic compounds into which doping of other appropriate elements has been widely studied. Herein, the structural stability, mechanical properties, and electronic structures of (Ni,Co)3Sn4 and η′‐(Cu,Co)6Sn5 are systematically investigated using first‐principles calculations. By comparing the heat of formation of the doped and undoped intermetallic compounds, it is found that the doped Ni3Sn4 structure has a higher heat of formation and a less stable structure, while the doped η′‐Cu6Sn5 structure has a lower heat of formation and a more stable structure. The doped Ni3Sn4 exhibits an increasing bulk modulus (B) and Young's modulus (E), and the doped η′‐Cu6Sn5 exhibits a gradually increasing bulk modulus (B). These findings suggest that doping improves the rigidity and elastic deformation properties of the two intermetallic compounds. And yet the anisotropy of both intermetallic compounds is decreasing as doping concentration increases. According to the calculations of the electronic structures, the doped (Ni,Co)3Sn4 structure and the doped η′‐(Cu,Co)6Sn5 structure exhibit stronger metallicity. In addition, stronger Co–Sn ionic bonds are formed in the doped Ni3Sn4 and η′‐Cu6Sn5 structures. This suggests that the doped Ni3Sn4 and η′‐Cu6Sn5 structures are harder.

Evolution of Ni-induced orthorhombic phase in SnO2: Influence of Ni on the optical and photocatalytic properties

This paper presents the impact of nickel doping on the structural, optical and photocatalytic characteristics of Sn1-xNixO2 (x = 0, 0.3, 0.05, 0.07) nanoparticles. The samples are synthesized via the chemical co-precipitation method. Information on the structural properties of the samples is obtained via the Rietveld refinement technique. As the dopant concentration increases, a partially stable orthorhombic phase emerges and becomes prominent, indicating a correlation with the amount of Ni dopant. This orthorhombic phase arises during the transformation from the amorphous state to a more stable crystalline phase. The FESEM-EDAX analysis demonstrates the uniform distribution of agglomerated particles. Additionally, the Raman data provides information related to surface defects and vacancies. A minor increase in the band gap value is detected, and this observed blue shift can be attributed to the Burstein-Moss effect. The samples exhibit a strong blue emission, primarily attributed to surface defects and states, particularly due to the oxygen vacancies. The CIE coordinates show an increase in blue colour purity, making the samples suitable for blue components in white-light emitting diodes. However, the photocatalytic study reveals only partial degradation of methylene blue under visible light conditions.

Room temperature ferromagnetism in undoped and Fe doped Zn3P2 nanoparticles: Structural, optical and magnetic properties

In the current study, the structural, optical, and magnetic characteristics of Fe-doped Zn3P2 nanoparticles prepared by the solid-state reaction technique with various concentrations of Fe (x = 0.00, 0.02, 0.04, 0.06, and 0.08) were investigated. Studies using X-ray diffraction (XRD) verified that all of the produced samples had a tetragonal structure without any other phase, and that the lattice parameters increased (a = 8.090 Å, c = 11.421 Å to a = 8.120 Å, c = 11.499 Å) as the amount of dopant increased. The scanning electron microscopy (SEM) performed on the sample demonstrates that the grain size is almost spherical. The size of agglomerations slightly increases with increasing dopant concentration. The results of an energy dispersive X-ray analysis (EDAX) are almost exactly what was anticipated for the atomic weight ratios. The optical bandgap of the samples went from being 1.406 eV to being 1.453 eV when the dopant concentration was raised. When excited at wavelengths of 210 nm and 240 nm, rather than 307 nm, very intensity Photoluminescence (PL) emission spectra were detected in all of the samples. Vibrating sample magnetometer (VSM) verified that magnetic moment is found to increase (0.08829 emu/g to 0.23125 emu/g) with increase of dopant concentration from 0.02 to 0.08.

Analysis of CdS/CdTe Thin Film Solar Cells as a Function of CdS Doping Concentration: A Numerical Simulation Perspective

Cadmium Telluride (CdTe) photovoltaics, incorporating a thin film of Cadmium Sulfide (CdS), present a costeffective yet less efficient solar cell technology. Improving CdS/CdTe solar cell efficiency involves optimizing parameters like doping concentration and CdS layer thickness. However, limited research on cell defects necessitates a comprehensive analysis, including the often-overlooked impact of temperature. This study aims to analyze defect-free and defective CdS/CdTe solar cells, exploring the effects of doping concentration and other parameters. Using the SCAPS-1D simulator, design parameter variations will be investigated, and key metrics— open-circuit voltage (Voc), short-circuit current density (Jsc), fill factor (FF), and efficiency (η)—will be extracted. Simulation results indicate minimal efficiency impact from increased doping concentration in the ntype CdS layer for defect-free devices. The optimal doping concentration for CdS is 5 × 10<sup>18</sup> cm<sup>-3</sup>, with an optimum electron affinity of 4.0 eV. CdS thickness shows no significant efficiency impact, with the chosen optimum at 10 nm. In the defect-free CdS/CdTe solar cell, key metrics were Voc: 1.06 V, Jsc: 24.60 mA cm<sup>-2<sup>, FF: 87.89%, and η: 23.01%. Analysis of defects revealed single acceptor defects significantly impacting solar cell performance in both interfacial and bulk defects. Defect structure simulations demonstrated that increasing doping concentration, decreasing electron affinity, and thickness enhance efficiency. New optimum values for these parameters—1 × 10<sup>18</sup> cm<sup>-3</sup>, 4.0 eV, and 10 nm—yielded Voc: 1.03 V, Jsc: 23.88 mA cm<sup>-2</sup>, FF: 87.15%, and η: 21.40%. Additionally, a temperature decrease was associated with increased efficiency.

Band gap, ferromagnetic resonance and strong microwave absorption of BaFe12-2xZnxSnxO19 compounds and enhanced dielectric loss in BaFe12-2xZnxSnxO19/carbon nano tube composites

The forbidden bandgap energy, magnetic properties, natural ferromagnetic resonance and microwave absorption are studied on the Zn2+ and Sn4+ doped BaFe12-2xZnxSnxO19. The forbidden band gap of BaFe12-2xZnxSnxO19 increases with the increasing doping content x from 1.80 eV up to 1.97 eV. The coercive field, the anisotropy field and the magnetocrystalline constant of BaFe12-2xZnxSnxO19 decreases with the increasing doping. The natural ferromagnetic resonance is observed. The high permeability, accompanied with the ferromagnetic resonance, enables strong microwave absorption. BaFe10.4Zn0.8Sn0.8O19 has a wide effective microwave absorption bandwidth (RL≤-10dB) of 6 GHz with the material thickness below 2.5 mm in 11.4–17.4 GHz. The dielectric loss has little contribution to the excellent microwave absorption of BaFe12-2xZnxSnxO19. The BaFe12-2xZnxSnxO19/carbon nanotube (CNT) composites significantly increase the permittivity. The high dielectric loss and the high magnetic loss further improve the microwave absorption. With a very thin thickness of 1.8 mm, BaFe10.4Zn0.8Sn0.8O19/CNT has a bandwidth of 7.1 + GHz of 10.9–––18 + GHz. With the material thickness thinner than 3 mm, BaFe12-2xZnxSnxO19/CNT composites have very broad effective microwave absorption bandwidth of 11.4+, 10.7 and 10.7 GHz, with x = 0.6, 0.8 and 1.0, respectively. It illustrates that both BaFe10.4Zn0.8Sn0.8O19 and BaFe12-2xZnxSnxO19/CNT composites are very promising microwave absorbers.

Composition-dependent structure and bandgaps in HfxZr1−xO2 thin films

ZrO2 as a wide-bandgap semiconductor with high dielectric constant and ferroelectric properties has been extensively studied. To explore the impact of chemical doping on the structure and optical performance of ZrO2, HfxZr1−xO2 (x = 0, 0.25, 0.5, 0.75, 1) thin films were prepared through pulsed laser deposition. X-ray diffraction reveals that the orthorhombic phase (o) (111) gradually transforms into the monoclinic phase (m) (−111) with the increase in Hf content from 0 to 1. Furthermore, optical property analysis demonstrates an increase in the optical bandgap from 5.17 to 5.68 eV with the increase in Hf doping content. Density functional theory calculations and x-ray photoelectron spectroscopy suggest that the widening of the bandgap in HZO films is associated with the hybridization of Zr 4d and Hf 5d orbitals.

Multifunctional Ce+3 doped nickel-cobalt mixed ferrites via co-precipitation method for photocatalytic and antibacterial activity

The overuse of industrial dyes and anti-bacterial drugs are destroying fresh water reservoirs and making bacteria more resistant, respectively. To sort out these problems, we have synthesized Cerium doped Nickel-Cobalt mixed ferrites (Ce-@NCMF) with chemical composition [Ni0.4Co0.6CexFe2-xO4 (where x = 0.00, 0.10, 0.15, 0.20 and 0.25)] via co-precipitation method. Influence of cerium doping on the structural, optical, electrical, magnetic, photocatalytic and anti-bacterial properties of Ce-@NCMF studied. Powder x-ray diffraction analysis (PXRD) confirmed the synthesis of Ce-@NCMF. Decrease of crystallite size from 29.71 to 24.95 nm was observed with increase in dopant concentration. Tauc’s plot indicated the decrease of energy bandgap from 2.10 to 1.89 eV with increase in dopant concentration, which revealed the absorption of light in visible region to generate electron–hole pairs for photocatalytic applications. FTIR spectra indicated the presence of M-O bonds as major functional group present in Ce-@NCMF. Electrical properties demonstrated the prominent increase of electrical conductivity with increase of Ce-doping. VSM analysis was performed to analyse the magnetic properties of materials and showed prominent decrease in saturation magnetization value from 84.66 to 19.85 emu g−1. Owing to optical bandgap in the visible region, all the synthesized samples were evaluated for their photocatalytic potential for the degradation of methylene blue. Ce-@NCMF at x = 25% dopant value showed maximum degradation efficiency (95%) under sunlight irradiation of 90 min. Kinetic studies of dye degradation followed pseudo-1st order kinetics with maximum rate constant (k) value of 2.78×10−2 min−1. Antibacterial activity results showed the bioactive nature of Ce-@NCMF against all strains of bacteria in consistent with the crystallite size of samples. Smallest crystallite size Ce-@NCMF were found most active against gram-negative bacterial strains.