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After being irradiated, the Ag/WO 3 nanorods undergo charge separation, in which electrons flow from the valence band (E vb) to the conduction band (E cb), leaving a valence band h+. The hetero-junction causes this photoexcited e- to move from the WO 3 conduction band to the Ag conduction band. However, the holes (h+)that were photoexcited in the Ag valence band moved to the WO 3 valence band. When everything was said and done, the photogenerated electrons were able to be caught by the reduced GO nanosheets thanks to the carbonaceous based heterojunction. By reducing the likelihood of photoinduced electron (e-) & hole (h+) pair recombination, rGO sheets improve the transit of photo-excited e– to the catalytic surface. In contrast to O 2 =O 2, rGO sheets have a greater reduction potential (0.075 V). Therefore, the oxygen and photogenerated electrons present on the interface of reduced graphene nanosheets rapidly interact to produce superoxide radicals (–O 2), which subsequently react with H 2 O to form H 2 O 2. After being produced, H 2 O 2 reacts with holes and electrons on the catalyst surface to produce.OH radical. To degrade the water and carbon dioxide, these.OH react with the bound MB molecules and mineralize the dye. In light of this explanation, the following equations may be utilized to depict the probable photocatalytic mineralization of dye using the Ag/WO 3 /rGO photocatalyst. [Display omitted] • The novel silver doped WO 3 /rGO nanohybrid was manufactured with facile hydrothermal technique. • The various instrumental analysis was used to analyzed the physiochemical feature of materials. • The potential capability of the material was determined with photodegradation of MB dye. • The nanohybrid exhibited the high photocatalytic efficiency of 96.92% than their individuals. • The enhanced photocatalytic results attributed to higher electrical conductivity, lower resistance and suitable bandgap. Two-dimensional (2D) carbonaceous substances and their nanohybrid have lately garnered great interest as photocatalysts owing to outstanding contribution toward photocatalytic degradation and purification. A novel 2-D rGO dependent Ag/WO 3 photocatalyst was successfully fabricated using hydrothermal and ultrasonic synthesis processes. The photocatalysts properties such as surface, structure, morphology and optical were studied using modern analytical techniques. The photocatalytic effectiveness of the synthesized product was evaluated by measuring the rate of Methylene blue (MB) dye mineralization when exposed to a visible source. By virtue of its lower charge transfer resistance (Rct; 0.6 Ω) and better electrical conductivity, the photocatalyst demonstrated much stronger photocatalytic behavior toward dye removal than pure tungsten trioxide and silver doped WO 3 photocatalysts. The Ag/WO 3 /rGO photocatalyst degraded the dye at a rate of almost 96.92% faster than Ag/WO 3 (0.011 min−1) and WO 3 (0.009 min−1). The separation of photogenerated electron (e-) and hole (h+) pairs and the rise in optical absorbance contributed to a notable improvement in WO 3 ′s photocatalytic efficiency after adding silver dopant and rGO sheets. Transient photocurrent measurements revealed that the graphene-based material has persistent photo-excited charge carriers. [ABSTRACT FROM AUTHOR]

[Display omitted] • Ferrite polymer nano-composites were designed and synthesized in a polypyrrole (ppy) matrix. • The dielectric constant and dielectric loss decreased as frequency increased. • Activation energy and DC resistivity exhibited similar trends. • The resulting samples, PF1 and PF2, were evaluated and found to be suitable for high-frequency applications. Nanocomposites operating at high frequencies have attracted a lot of interest as potential electrical and communications technologies. BaFe 2 O 4 /polypyrrole composite was prepared by using sol–gel method. The XRD showed the single-phase structure of ferrites nanoparticles diffused throughout the polypyrrole matrix. In order to compensate for the fact that polypyrrole is amorphous; spinel ferrite was added to nanocomposites, boosting their crystallite size from 20 to 52 nm. The dielectric constant and dielectric loss were decreased as a function of the frequency by the addition of ferrites mixed with the polypyrrole. The addition of PPy to ferrites in all samples increased the DC resistivity and activation energy. The activation energy was found to increase from 0.11 to 0.39 eV. The ferromagnetic characteristics were determined by the magnetic loop. Coercivity, remanence magnetization, and saturation magnetization all increased with the ferrite content. The saturation magnetization M s increased from 5 to 59 emu/g and the coercivity increased from 3 to 330 Oe. The enhancement in all above parameters concluded that prepared spinel ferrits maybe suitable for high-frequency applications. [ABSTRACT FROM AUTHOR]

Abstract Nanostructures of Silver sulfide (Ag 2 S) possess wide range of applications as infrared detectors, resistance-switches and nonvolatile memory devices. Hence, the authors aim is to synthesize the Ag 2 S nanostructures using facile chemical route at low temperature (i.e. ~ 65°) with different concentrations (i.e. from 0 to 1 g) of sodium dodecyl sulfate (SDS) surfactants for such applications. High crystallinity and single phase was proved by X-ray diffraction and EDX analyses as there was no peak due to impurity was seen. The crystallite size was estimated and found in range of 39–44 nm. SEM analysis showed the homogeneous nanoparticles formation is all samples and the size was obtained in range of 40–60 nm for Ag2S samples prepared with 0, 0.1, 0.25 g SDS, however at higher SDS concentrations the size was found in range of 30–50 nm. Diffused reflectance spectra were measured for all samples and Kubelka-Munk theory is applied to estimate the energy gap which is found in range of 1–1.04 eV. The refractive index was also estimated in the range of 1.7–2 in 200–1200 nm wavelength region. The prepared nanoparticles possess high dielectric constant and electrical conductivity. Highlights • Facile SDS assisted synthesis of Ag 2 S nanoparticles at low temperature is reported. • XRD and EDX/SEM mapping confirm single phase and homogeneous elemental distribution. • The spherical nanoparticles of size in range of 30–50 nm was confirmed by SEM. • Energy gap is observed in range of 1–1.05 eV. • Dielectric constant is found in range of 24–95. [ABSTRACT FROM AUTHOR]

• Double-perovskite oxides Mn 2 FeMO 6 (M = W and Mo) are exist in polar ferrimagnetic phase. • These compounds have large spontaneous polarization values. • These materials have large values of piezoelectric coefficients. • These materials found semiconductors and mechanically stable. • Magnetic field has strong influence on the polarization of these materials. The physical properties of the corundum double-oxides Mn 2 FeMO 6 (M = W and Mo) are investigated using density functional theory (DFT). The structure relaxation in different spin orders are performed and ferrimagnetic is found the most stable magnetic phase. The compounds are dielectric materials with band gap values 1.84 and 2.03 eV. These materials are polar magnets because of the coexistence of contradictory properties such as polarization and magnetization, which are observed very rarely. The electric polarization arises due structure distortion and cation orbital configuration of M atom, while the magnetization occurs due to unpaired dn of Mn and Fe orbital configuration. The compounds understudy are suitable for ferroelectric and magneto-electric applications due to their large spontaneous polarization (58.16 and 69.24 µC/cm2) and magnetic moments (3 and 3.43 µ B /f.u). These multiferroic Mn 2 FeMO 6 exhibit a profound interplay between electrical polarization and the applied magnetic field. The calculated values of piezoelectric coefficient, d 33 = 264 and 606 pC/N are comparable to lead-based piezoelectric materials. A set of mechanical parameters revealed that Mn 2 FeMO 6 are mechanically stable in rhombohedral phase. The applied strain has great influence on the physical properties of these two compounds. [ABSTRACT FROM AUTHOR]

• This work details the structural and optical properties of ZnSe layer. • This work demonstrates the role of ZnSe layer film in improving fabricated ZnSe/CdTe solar cell. • In this work, the series and parallel parasitic resistances are decreased with the increase of film thickness. In this framework, the ZnSe layer was prepared via the well-known thermal evaporation method at various thicknesses. The thicknesses of the ZnSe layer were monitored by the quartz crystal monitor type (FTM4, Edwards). The influence of ZnSe film's thickness on the structure, optical and electrical properties were studied. Using XRD patterns, the structural parameters of the ZnSe layer have been calculated. It is observed that the crystallite size increases as the film thickness increases, but the lattice strain decreases. SEM measurement results show that as the thickness of the ZnSe film increases, the grain size improves. The electrical properties of ZnSe films at various thicknesses have been measured via a standard four-point probe method. It can be noticed that as the ZnSe film's thickness increases, the electrical conductivity also increases. This means that ZnSe film with higher electrical conductivity will be more suitable for the high-efficiency ZnSe/CdTe solar cell. In a higher absorption region for both T (λ) and R (λ), the absorption coefficient has been determined, and thus the optical energy gap, which is increased from 2.62 to 2.91 eV. At the same time, the effect of the ZnSe layer with different thicknesses on the performance of the ZnSe/CdTe solar cell was discussed. The figure of merit has been computed to determine the quality of the thin films. The parameters of the hetero-junction have been measured, such as the correction ratio, which is improved by increasing the film's thickness. The junction resistance and parasitic resistance were also calculated which is decreased with increasing of the thickness film, thereby improving the performance of fabricated ZnSe/CdTe solar cell. [ABSTRACT FROM AUTHOR]

Herein, this work aims to reveal the impact of gamma irradiation with different doses on structural, ferromagnetic resonance, optical, and dispersion properties of PVC/Mn 0.5 Zn 0.5 Fe 2 O 4 nanocomposite films. The Mn 0.5 Zn 0.5 Fe 2 O 4 nanoparticles (NPs) were synthesized via the sol-gel method. XRD pattern of Mn 0.5 Zn 0.5 Fe 2 O 4 powder confirmed of presence of the hematite (α-Fe 2 O 3) as a second phase. The PVC/Mn 0.5 Zn 0.5 Fe 2 O 4 nanocomposite films were assembled via the solution casting technique. The EDX spectra confirmed the elemental composition of Mn 0.5 Zn 0.5 Fe 2 O 4 NPs. Also, the XRD, and FTIR patterns proved the successful preparation of PVC/Mn 0.5 Zn 0.5 Fe 2 O 4 nanocomposite films. The effect of radiation on the produced defects has a significant role in tuning the properties. Likewise, the ferromagnetic resonance behavior was examined via EPR spectrometer. The number of spins was reduced sharply as the γ -rays doses increasing up to 50 kGy and then increased at 75 kGy. The energy gap was decreased by increasing the irradiation doses up to 50 kGy and then increased at 75 kGy. Besides, a remarkable impact of γ -irradiation on the oscillator energy and the dispersion energy of pristine and γ - rays irradiated PVC/Mn 0.5 Zn 0.5 Fe 2 O 4 nanocomposite films was detected. Further, the static dielectric constant was decreased with the increase in the gamma irradiation doses. Moreover, the nonlinear optical susceptibility was reduced with the increase in the gamma irradiation doses. Furthermore, the VELF, SELF functions and the optical conductivity were enhanced as the γ - rays doses increased. Overall, the linear/nonlinear optical and dispersion properties of irradiated PVC/Mn 0.5 Zn 0.5 Fe 2 O 4 nanocomposite films make of them proper materials for flexible optoelectronic devices. • The PVC/Mn 0.5 Zn 0.5 Fe 2 O 4 nanocomposite films were prepared via the solution casting technique. • The role of the hematite phase on structural and optical properties of the films was illustrated. • Remarkable impact of γ -irradiation on the oscillator and the dispersion energies of the nanocomposite films was detected. • The optical properties of PVC/Mn 0.5 Zn 0.5 Fe 2 O 4 nanocomposite films are suitable for flexible optoelectronic devices. [ABSTRACT FROM AUTHOR]

• The TiO 2 thin films was successfully synthesized by thermal evaporation technique. • The structural, optical and electrical properties of the TiO 2 layer was discussed. • The polarization dependence of an electric field was investigated. • The effect of the TiO 2 layers on the properties of the solar cell was discussed. • The temperature dependence of the open-circuit voltage (V OC) was studied. In the present framework, the TiO 2 thin film at different thicknesses (where d = 100, 120, 140, 160, 180, and 200 nm) has been successfully synthesized using the well-known thermal evaporation technique. The thickness of TiO 2 layer has been monitored utilizing the quartz crystal monitor (type-FTM4, Edwards). The effect of TiO 2 film's thickness on the structural, optical, electrical and photovoltaic properties has been investigated. The structural parameters of TiO 2 layer such as the lattice strain, ε and the crystalline size, D have been computed utilizing the XRD pattern. According to the results of the XRD, it has been found that the crystalline size has been increased while the lattice stress decreased as the thickness of the TiO 2 layer increased. The results of SEM have been shown that as the TiO 2 film's thickness increases, the grain size improves. On the other hand, the values of the optical bandgap decreases as the thickness of the film increases. The energy diagram of TiO 2 layer and also for the fabricated solar cell have been plotted. The capacitance-voltage (C-V) characteristics have been studied to determine the type of the heterojunction (sharp or gradual). According to such measurements, the built-in-voltage, the width of the depletion region, and the maximum electric field have been extracted. The polarization dependence of an electric field has been investigated. As well, the significant influence of TiO 2 layer on optimizing the performance of the TiO 2 /p-Si solar cell has been also studied. The dark and illuminated current density-voltage (J-V) characteristics for the fabricated solar cell has been studied. The Ohmic, SCLC regions and the transition voltage have been determined. The parameters of the TiO 2 /P-Si solar cell such as the rectification ratio, RR , the junction resistance and the parasitic resistances have been studied. Furthermore, it has been found that the power conversion efficiency PCF and the fill factor FF of the heterojunction have been increased with increasing the thickness of TiO 2 layer. Finally, the temperature dependence of the open-circuit voltage (V OC) has been studied to estimate the activation energy as a function of the thickness of TiO 2 layer in the fabricated system. [ABSTRACT FROM AUTHOR]

The scenarios for this work have been summarized in the preparation of the Se 50 Te 50 thin film -(~500 nm)- by thermal evaporation method, then using a mercury lamp with a 150 W/cm2 as a source of ultraviolet radiation. The irradiation process has been carried out in the open air for the Se 50 Te 50 thin film without irradiation and in the UV-treated period between 0.5 and 2.5 h. A thorough study has been carried out which ultimately has been confirmed from it that the irradiation time plays the role of controlling the optical and electrical properties. The energy band type corresponding to the orbital transitions has been determined, and the energies of the orbital transition has been calculated in the Tauc region, HOMO/LUMO gap, and charge transfer gap. In addition to, calculating the exciton and Urbach energies. It has been found that these energies decrease with increasing UV exposure time, except for Urbach's energies, which behave differently. The role of the UV exposure time in controlling many optical constants, dispersion, and dielectric parameters was investigated. Thin-film quality coefficient, the surface resistance, and thermal emission, in addition to the angle of refraction as a function of wavelength, have been determined. As well, the spectral distribution of the molar parameters has been discussed. Finally, the DC electrical conductivity, the activation energy in the extended and hopping state regions, and Mott's parameters have been computed. • This work combines the structural, optical, and electrical properties of the Se 50 Te 50 thin film. • In this work, the energies of the orbital transitions and the type of band at each transition are determined. • The role of UV treatment exposure time in controlling optical and electrical parameters of Se 50 Te 50 thin film is determined. [ABSTRACT FROM AUTHOR]

The investigation of inorganic oxide perovskites, specifically CsXO 3 (X = Ti, Mn, Cu), has been carried out utilizing density functional theory (DFT) to gain deeper insights into their structural electronic, optical, and elastic attributes. The calculated band gaps for CsTiO 3 , CsMnO 3 and CsCuO 3 are determined to be 1.68 eV, 3.26 eV, and 4.62 eV, respectively, while the lattice parameters are measured at 4.098 Å, 3.987 Å, and 4.059 Å. Our findings indicate that CsMnO 3 and CsCuO 3 possess moderate-sized, indirect band gaps, showcasing potential for enhanced conductivity. And CsTiO 3 shows direct band gap. Additionally, CsTiO 3 and CsCuO 3 exhibit ductile and anisotropic behavior, as evidenced by both Poisson's ratio and the anisotropic factor. And CsMnO 3 shows brittle nature. The anisotropic factors are 2.14 for CsTiO 3 , 1.99 for CsMnO 3 , and 1.89 for CsCuO 3 , whereas the Poisson's ratios are measured at 0.45, 0.34, and 0.49, respectively. Notably, CsTiO 3 demonstrates significant photovoltaic activity within the visible spectrum, accompanied by a high optical conductivity and absorption coefficient, positioning it as a promising material for solar cell applications. The favorable attributes of CsTiO 3 suggest its potential suitability for integration in optical and electronic devices. [ABSTRACT FROM AUTHOR]

In this framework, the bulk sample of Se 80 S 20 has been successfully generated using the common melt quenching method. The main structural characteristics of Se 80 S 20 were checked utilizing EDAX, X-ray, and SEM measurements. The thin film (~500 nm) fabricated from the bulk sample is thermally deposited on a clean glass substrate at 298 K using the evaporation technique. The thickness of the analyzed film has been monitored by a crystal monitor. On the other hand, the dielectric permittivities, dissipation factor, AC electrical conductivity, modulus, and impedance components were determined based on the capacitance-temperature (C m - T), capacitance-frequency (C m - ω), conductance-temperature (G m - T), and conductance-frequency (G m - ω) measurements. AC electrical conductivity, σ A C (T) has two contributes, electronic and ionic conductivity. Physical parameters of Se and S elements have been reported. As well, the important electrical parameters such as the power of angular frequency m , the maximum barrier height W m , energy band gap E g , the pre-exponential factor σ ο , the activation energy of the conduction mechanism, E A C in both extended and hopping regions and the relaxation parameters of fresh Se 80 S 20 thin film at different frequencies have been computed. Finally, the behavior of the local state density at the Fermi level has been studied as a function of temperature at different frequencies and also as a function of frequency at different temperatures. • This work combines the structural and electrical properties of the Se 80 S 20 thin film. • This article is considered a comprehensive comparison work. • The mechanisms of electrons transfer are discussed. • The main electrical parameters are calculated in this work. [ABSTRACT FROM AUTHOR]

The focus of the current research is to see the effectiveness of some quaternary ChGs as shielding materials for very energetic radiation such as X-rays and gamma rays. The ChGs addressed in this investigation belong to a quaternary glass system of SeTeSnAg. The online Phy-X/PSD program has been used to determine several parameters (e.g., linear/mass attenuation coefficients) related to radiation shielding characteristics. Further, we have determined various shielding parameters (e.g., Half-Value Layer, mean free path, transmission factor, efficacy of radiation protection, removal cross-section) as well as the mechanical properties (e.g., bulk modulus, shear modulus, longitudinal modulus, and Poisson's ratio). It is also discussed how replacing Se atoms with silver affects the shielding properties of the parent SeTeSn glass. • New SeTeSnAg glasses have been tested for use as radiation shields. • It has been discovered that including silver helps parent SeTeSn glass' radiation shielding characteristics to be optimized. • The trending pattern of the effective removal cross-section is similar to that of the molar volume. • Quaternary glass with a greater Ag concentration has the lowest MAC values. [ABSTRACT FROM AUTHOR]

[Display omitted] • Pristine and Mo-doped (0, 1, 2, 3, 4 and 6 %) NiO regular nanoparticles have been synthesized successfully. • Drastic reduction in band gap occurs from 3.5 eV to 2.9 eV at 3 wt% Mo occurs owing to average crystallite size decrease from 67 nm to 44 nm. • The sample containing 3 wt% Mo doped NiO showed highest efficiency (90% degradation) for MB dye, whereas with RhB dye it shows 98% degradation. • The PL analysis revealed that the Molybdenum substitution in NiO host lattice specifically reduces the recombination rate with an improved photo-efficiency. • The reaction kinetics examination showed pseudo-first-order kinetics with an improved rate constant. Semiconductor materials are in leading role for elimination of organic pollutants in water with an effective tuning of bandgap and improving their photocatalytic activity. Pristine and Mo-doped (0, 1, 2, 3, 4 and 6 %) NiO nanoparticles have been synthesized by sol–gel method. The synthesized nanoparticles were examined by XRD, SEM, EDS, UV–visible spectroscopy and photoluminescence (PL) analysis. The synthesized nanoparticles exhibit spherical morphology and their crystallite size decreases with an increase in Mo concentration. The average crystallite size decreases from 67 nm to 44 nm and the drastic reduction in band gap occurs from 3.5 eV to 2.9 eV at 3 wt% Mo doping. The photocatalytic activity against Rhodamine-B (RhB) and methylene blue (MB) showed that the Molybdenum doping improves the performance of NiO photocatalyst. The PL analysis revealed that the Molybdenum substitution in NiO host lattice specifically reduces the recombination rate with an improved photo-efficiency. The reaction kinetics examination showed pseudo-first-order kinetics with an improved rate constant. The sample containing 3 wt% Mo doped NiO showed highest efficiency among all the prepared samples. The sample with 3 wt% doping shows 90% degradation after 90 min when using against MB dye, whereas with RhB dye it shows 98% degradation in 120 min. The retention of high performance after five consecutive cycles confirms the reusability of synthesized nanoparticles. [ABSTRACT FROM AUTHOR]

Since, the systematic and extensive study on halide double perovskite's (HDP's) have triggered a considerable interest, thus became a new thrust to the scientific research. In this organised report, we present a new promising halide double perovskite structures Cs 2 GeMnI 6 and Cs 2 GeNiI 6 to understand, more in-depth their intrinsic characteristics by means of Density Functional Theory (DFT). Initially, we reported the structural stability of both these crystal structures by evaluating their total ground state energy in stable configuration and cohesive energy at the behest of Brich Murnaghan equation of state. Afterwards, the structural stability is moreover extended to see their corresponding tolerance factor (τ) values and second order elastic constants (SOEC's). Subsequently, the density functional perturbation theory (DFPT) has been inducted to predict the dynamical context of these ordered systems. Later on, the quantum mechanical treatment of defining their electronic structures by the calibration of mix of two distinct spin-polarised approximation schemes like Perdew-Burke-Ernzerhof Generalised gradient approximation (PBE-GGA) followed by Tran-Blaha modified Becke-Johnson (TB-mBJ). Meanwhile, the unsymmetrical behaviour of electronic structures from their resulting band structures demonstrates the occurrence of spin-magnetic moment of 5 µ B and 2 µ B /formula unit respectively having the maximum contribution solely coming from the Mn+2 and Ni2+ 3 d -transition elements. The evaluation of phonon dependent Grüneisen parameter (γ) defines the possible thermal stability against specific temperature regimes. And finally transport properties as a function of chemical potential (µ-E F) at distinct temperatures has been keenly explored. Therefore, the overall tendency of these designed materials can be envisaged to descript vast implications in various extending applications for conventional spin-based and thermoelectric technologies. • Cs 2 GeMnI 6 and Cs 2 GeNiI 6 are cubic crystalline materials via determined from their phonon dispersions, tolerance factors and cohesive energies. • Cs 2 GeMnI 6 and Cs 2 GeNiI 6 displays ferromagnetism of 5µB and 2µB respectively. • They possess elastic and mechanical strength without requiring excessive maintenance. • Thermoelectric coefficients with ZT nearly equals 1 reveals the applicability of these materials in transforming squander heat into usable electrical energy. [ABSTRACT FROM AUTHOR]

In this research, we report unique hierarchical structures of SnO 2 hexagonal interconnected nanolayered arrays (HINLA) fabricated on the carbon cloth (SnO 2 HINLA@CC) by a facile electrochemical deposition technique. The structural, morphological evolution and electrochemical properties of as prepared SnO 2 HINLA@CC are explored as negative electrode of SCs. SnO 2 HINLA@CC has been tested in negative potential widow of −1.0-0 V and demonstrated the high specific capacitance of 325 F g−1 at 1 A g−1, much superior when compared to the previously reported data for SnO 2. The EIS analysis confirmed the charge transfer kinetics of SnO 2 HINLA@CC, with significant stability due to favorable morphology for swift response. Capacitance retention plot confirmed no structural degradation or pulverization for negative electrode even after 5000 galvanostatic charge with 88.6% capacitance retention. Such high performances of SnO 2 HINLA@CC as negative electrode make it an ideal candidate to be useful in ASCs. Moreover, a 2.2 V aqueous ASC has been constructed by employing Na 0 · 5 MnO 2 nanowall arrays (NWAs) as cathode and SnO 2 HINLA@CC as anode. In particular, the 2.2 V Na 0 · 5 MnO 2 NWAs@CC//SnO 2 HINLA@CC ASC has demonstrated the superior energy density of ∼73 Wh kg−1, significant rate capability and excellent cycling ability, outperforming the previously reported SnO 2 -based ASCs. Present work provides new opportunities for developing promising high-voltage aqueous ASCs with excellent energy density. • SnO 2 hexagonal interconnected nanolayered arrays (HINLA) electrode is tested at −1.0-0 V with 325 F g−1 capacitance at 1 A g−1. • Negative electrode maintained 88.6% of initial capacitance after 5000 GCD cycles due to hierarchical morphology. • Using SnO 2 HINLA@CC as negative electrode, a 2.2 V aqueous ASC is designed with Na 0 · 5 MnO 2 NWAs as positive electrode. • Fabricated ASC exhibits maximum capacitance of 76 F g−1 at 0.5 A g−1 with excellent energy density of ∼73 Wh kg−1. • Prototype device is attached to a red light emitting diode of 1.8 V and has enlightened it for continuous 3 min. [ABSTRACT FROM AUTHOR]

The fabrication of Zn 0.5 Cd 0.5 Te thin film was reported in this study which was prepared via the common vacuum evaporation process at various temperatures (25, 100, 200, 300, 400 and 500 °C). On pre-cleaned glass substrates, the Zn 0.5 Cd 0.5 Te thin films were formed. The absorption coefficient was used to analyze the linear optical path in this study. The optical parameters, the optical constants, the dielectric constants, the quality factor of the studied thin films and the dispersion parameters were computed. The envelope approach, proposed by Swanepoel, was used to calculate the refractive indices and the thickness of the studied films in the transparent region. The optical energy gap was computed in the transmittance and reflectance spectrum's strong absorption zone. As the temperature of the examined system is increased, the refractive index, n , decreases while the energy gap rises. The annealed thin films have a crystalline structure with cubic phase and primarily oriented along the (111) plane, according to x-ray diffraction results. The crystalline structure of the examined thin films was confirmed by the top view of SEM profiles for the Zn 0.5 Cd 0.5 Te thin film at various temperatures. In the other part of this work, the photovoltaic characteristics of the fabricated n -Zn 0.5 Cd 0.5 Te/p-CdTe solar cell were investigated for a solar cell which fabricated by depositing a p -CdTe thin layer (200 nm) on the ZnCdTe thin films (∼1000 nm) prepared on the glass substrates (2 mm). The Ni/n-Zn 0.5 Cd 0.5 Te/p-CdTe/Pt heterojunction has been effectively assembled. The front and back contact electrodes were made of two high-work-function metals (Pt and Ni) so that surface electrons may travel freely and be easily removed from the surface by the influence of the lowest energy falling on the solar cell. The dark (current-voltage) characteristics of fabricated heterojunctions have been reported at different temperatures ranging from 25 to 500 °C, as well as for voltages ranging from −2 to 2 V. Based on the dependence of the forward and reverse current on the voltage, the effective and main parameters connected to the fabricated diode have been determined. The rectification ratio, the junction resistance, an ideality factor of the fabricated diode, the shunt and series resistances, the height of the barrier formed at the interface between the Zn–Cd–Te thin films and the p -CdTe thin layer, the carrier recombination, the activation energy in the exhausted region, Poole-Frenkel, and Schottky coefficients were all evaluated. • The optical parameters, and dispersion parameters were calculated. • The structural parameters of the studied system were extracted. • The structural and optical properties improved with increasing temperature. • The dark (current-voltage) characteristics were studied in detail. • The photovoltaic parameters were computed. [ABSTRACT FROM AUTHOR]

In the present work, Ba and Co based hexaferrites, (Ba 1-3x Nd 2x) 4 Co 2 Fe 36 O 60 , x = 0.0–0.25, with the interval of 0.05, have been synthesized via auto-combustion route method. Every sample has an R-3m symmetric hexagonal structure, according to the XRD study. The samples with 0.15 < x < 0.25 have decreasing magnetization, while below x = 0.15 doping, enhanced magnetic properties appeared. Impedance spectroscopy is employed for investigating dielectric characteristics. The sample with x = 0.15 composition at 1.5 T and 1000Hz showed maximum magnetization and a magneto-electric reaction accompanied by a magnetic coefficient of about 104.68%, which is very huge in case of hexaferrites. Therefore, these results will be fruitful in the application point of view. Therefore, with these excellent magnetic parameters, improved dielectric and magneto-electric traits, the prepared U-type hexaferrites based materials are highly beneficial for permanent magnets and switching devices. • Ba-Nd-Co hexaferrites synthesized via auto-combustion. • XRD confirms R-3m hexagonal structure for all samples. • Enhanced magnetization below x = 0.15, decreasing beyond x = 0.15. • Impedance spectroscopy unveils intriguing dielectric characteristics. [ABSTRACT FROM AUTHOR]

Electromagnetic interference (EMI) shielding is critical for protecting electronic devices from interference generated by various sources such as power lines, radio waves, microwaves, and electronic devices. In this current study, we present a thorough investigation of the structural, magnetic, and electromagnetic properties of Y3+ doped M-type barium nano hexaferrites. Polycrystalline BaFe 12−x Y x O 19 (x = 0.0, 0.3, 0.5, 0.7, and 0.9) hexaferrites are prepared using the citrate precursor method. The results of X-ray diffraction (XRD), Rietveld refinement and Raman spectroscopy confirmed that all samples have a single-phase, and pure hexagonal crystalline structure with space group P69/mmc. This result is consistent for all the prepared compositions. The structure and dopant materials in different chemical states of the sample are determined based on the X-ray photoelectron spectroscopy (XPS) spectrum. Field emission scanning electron microscopy (FESEM) analysis showed that the particles had a distinct hexagonal morphology. The chemical composition of the prepared hexaferrites is investigated using energy dispersive X-ray analysis (EDAX). UV spectroscopy showed an inverse relationship between the molar ratio of yttrium and the band gap. Vibrating sample magnetometer (VSM) results showed a decrease in saturation magnetization (M s) and coercivity (H c) with increasing fraction of yttrium ions. The shielding efficiency (SE) of the synthesized hexa materials against EMI is evaluated using a vector network analyser (VNA). In particular, effective EMI shielding was observed in the frequency spectra of 8–12 GHz (X-band region). Among the tested compositions, BaFe 12–0.7 Y 0.7 O 19 with a thickness of 3 mm exhibited highest SE of 80.07 dB in the X-band region. The proposed yttrium-substituted barium M-type hexagonal ferrites exhibit significant reflection loss with enhanced absorption spectrum even when applied to an extremely thin 3 mm material, making it a possible preference as the radar-absorbed compound for EMI attenuators for weather monitoring, radar tracking, air traffic management, and gigahertz antennas. Furthermore, commercial applications including long-term magnetic media for recording, storing information, etc. are possible uses of the synthesised magnetic yttrium-doped barium M-type hexagonal ferrites. • Yttrium-substituted barium hexaferrite nanoparticles of M-type were successfully synthesized by the citrate precursor method. • A remarkable effectiveness in shielding electromagnetic interference is observed in the X-band frequency spectrum. • Synthesized yttrium-substituted barium hexaferrite nanoparticles are effective for electromagnetic interference shielding applications. [ABSTRACT FROM AUTHOR]

• SnBr 2 /PVA polymer electrolytes were characterized using X-ray diffraction, FTIR, optical properties, and dielectric spectroscopy. • XRD, FT-IR, and SEM reveal that the interactions with SnBr 2 salt altered the PVA structure. • The addition of SnBr 2 into the PVA matrix reduces the optical band gap energy, directly and indirectly. • AC electrical conductivity rises with frequency and SnBr 2 salt levels. • Our designed filter is a unique polymer electrolytes films for optoelectronic and applications with electrochemical devices. A polymer electrolyte of PVA (Polyvinyl alcohol) doped with Tin (II) Bromide (SnBr 2) at different weight ratios was synthesized by casting technique. The structure analysis of the composites was displayed by XRD (X-ray diffraction) and F.T. (Fourier transform)-IR techniques, which showed the decrement in the crystallinity with the argument of SnBr 2 concentration and functional interaction between SnBr 2 and PVA, respectively. The absorbance (A bs.) and transmittance (T %) in the range of wavelength 190−2500 nm were documented through the UV–vis spectrophotometer to research the influence of SnBr 2 on the optical performance of PVA. The incorporation between SnBr 2 and the main chain of the PVA matrix brings out a notable change in the optical properties of the polymer electrolytes. The optical band gap, refractive index (n), extinction coefficient (k), the real and imaginary parts of dielectric constant (ε r and ε i) as well as optical conductivity (σ o p) exposed a clear dependence on the SnBr 2 content. Moreover, the dependence of dielectric properties on the contents of SnBr 2 has been studied in the range of frequency from 100 Hz to 1 MHz. The conduction mechanism is mainly correlated Barrier Hopping (CBH) model. SnBr 2 /(PVA) polymeric solid electrolyte can be used for electronic and optoelectronic and electrochemical devices. [ABSTRACT FROM AUTHOR]

The perovskites are important class of materials which are utilized for memory as well as spintronic devices. The thermoelectric response calculations for some perovskite oxides are also reported but their attributes under pressure had not really been touched. This study covers the repercussions of pressure on structure, electronic dispersions, optical constants and transport parameters of CsTaO 3 perovskite oxides in cubic phase by employing semi-classical Boltzmann theory. The CsTaO 3 was previously reported dynamically stable through optimization of energy against volume and phonon properties at ambient pressure conditions, having wide (direct) energy gap of 2.90 eV. This gap is decreasing with increasing pressure and behaves like the interesting diluted magnetic semiconductors. The comprehensive insights of the imaginary part of dielectric constant is predicting it's utility in optoelectronic devices and sensors. The different transport parameters are computed in the temperature range 50 K to 1200 K with 50 K step size and pressure 0–100 GPa with 10 GPa step. The calculated power factor value and optical parameter proving CsTaO 3 as a latent material for energy application. [ABSTRACT FROM AUTHOR]

In recent years, semiconductors such as molybdenum di-sulphide (MoS 2) and graphitic carbon nitride (g-C 3 N 4) have fascinated much attention from researchers in the arena of renewable energy, photo catalysis (hydrogen production, oxygen evaluation & dye degradation) and energy storage devices (batteries). Here, a novel MoS 2 and g-C 3 N 4 photocatalytic hetero-structure is synthesized by using hydrothermal and calcination methods, respectively. The heterostructures of these materials are synthesized by chemical and physical methods named MoS 2 /g-C 3 N 4 -M and MoS 2 /g-C 3 N 4 -P, respectively. XRD and FTIR confirms the molecular structure and bonding formation of prepared materials. UV–visible shows 2.32 and 2.26 eV band gaps for MoS 2 /g-C 3 N 4 -P and MoS 2 /g-C 3 N 4 -M, respectively. Nanorods are successfully synthesized by MoS 2 , and g-C 3 N 4 has a sponge-like structure. Heterostructures confirm the existence of both g-C 3 N 4 and MoS 2 , according to SEM. MoS 2 nanoparticles (NPs) molded on g-C 3 N 4 nanosheets significantly boosted the photocatalytic action of g-C 3 N 4. The photocatalytic performance was evaluated for the degradation of methyl blue (MB) under sunlight. The greatest photocatalytic performance for MB degradation was demonstrated by MoS 2 /g-C 3 N 4 -P. 95 % of MB was decomposed by MoS 2 /g-C 3 N 4 -P after 80 min. MoS 2 NPs can boost interface charge transport and restrict the re-mixing of hole-electron pairs produced by photons. Therefore, it is demonstrated that the novel MoS 2 /g-C 3 N 4 heterostructure is a capable catalyst for the photocatalytic destruction of organic contaminants utilizing solar energy. [Display omitted] • Physical and chemical methods have been used to mixed g-C 3 N 4 and MoS 2. • XRD and FTIR confirms the molecular structure and bonding of prepared materials. • UV–visible shows E g 2.32 eV (physical) and 2.26 eV (chemical) methods. • 95 % of MB was decomposed by physical mixing method after 80 min. [ABSTRACT FROM AUTHOR]

Electro-catalytic water splitting for the generation of sustainable energy, is one of the most promising way to convert renewable energy resources into fuel. Water splitting is an impressive and effective process due to its complete lack of CO 2 emissions and its efficiency as an energy storage system. The growth of stable, low cost and active electro-catalyst has imperative role for achieving the electro-catalytic hydrogen generation from water splitting process. Herein, a very simple synthesis strategy of sol gel method was used to reduce the production cost of electro-catalysts. Particular characterization techniques including X-ray diffraction (XRD), scanning electron microscopy (SEM), and cyclic voltammetry (CV) were accomplished. Transition metals and their oxides were found highly stable, active and shows long term durability for water oxidation process, while manganese (Mn) doped samarium oxide (Sm 2 O 3) electro-catalyst showed promising catalytic performance and found exceptionally very active towards overall water splitting process. Thus, the as-prepared catalysts can be employed for hydrogen generation from water splitting, which is one of imperative sources of renewable energy production. • Electro-catalytic water splitting for the generation of sustainable energy. • Conversion of renewable energy resources into fuel in the form of hydrogen. • Cost-effective electro-catalyst was prepared for water splitting process. • Sol gel method was used to reduce the production cost of electro-catalysts. • Mn-doped samarium oxide electro-catalyst showed high catalytic performance. [ABSTRACT FROM AUTHOR]

This work focused on the newly designed poly(methyl methacrylate) (PMMA) doped in Rhodamine B (Rh-B) dye on a glass substrate for wide-scale applications. In the current study, we have examined the influence of adding different concentrations of Rh-B dye to PMMA on the optical properties of the composite samples, Rhodamine B dye-doped PMMA thin films /glass substrate. Utilizing the spin coating technique, we have prepared uniform thin films. We have studied the structural characterizations of the samples via XRD. The samples displayed a hump which proves that the structure of the investigated composites is noncrystalline. Utilizing absorption, reflection, and transmission spectra of the specimens, the optical parameters like absorption coefficient, dielectric function, and refractive index have been calculated. Moreover, the impact of the impurity of the dye on these parameters has been discussed. Furthermore, the calculated bandgap of the samples reduced by raising the concentration of dye impurity. The CUT-OFF/limiting characteristics of UV–vis laser for the tested samples with different proportions of the dye have been examined utilizing a He-Ne laser running at 532 and 632.8 nm. The results depicted the partial blocking of the incident laser beam at 532 nm. The prepared Rh-B/PMMA films can be applied in broad range applications. [ABSTRACT FROM AUTHOR]

[Display omitted] • CsSrF 3 Fluoro-Perovskite has been investigated using Density Functional Theory (DFT). • Na-doping results in the reduction of band-gap. • CsSrF 3 halide perovskite are found to be energetically, mechanically and dynamically stable. • The electronic analysis showed that the studied compound is semiconductor. Density functional theory computations were implemented on pure and Na-doped cubic CsSrF 3 to investigate its structural, electronic and optical characteristics as a probable well-designed compound in the perovskite family. Pure material optimization resulted in a lattice parameter of 4.83 Å, which is in superb covenant with the reported value. Doping CsSrF 3 with varying amounts of sodium resulted in cubic phase alteration into pseudo-cubic tetragonal. The direct bandgap of pure CsSrF 3 was measured to be 5.66 eV. The band gap was slightly shrunk as a result of changes in sodium concentration. Doping CsSrF 3 with Na at Cs sites not only modifies the material's electronic properties, but also its optical ones. Changes were made to both the refractive index and the pure dielectric function. The theoretical foundation laid by this fluoride-type material can be used to inform the development of next-generation, high-performance ABX 3 -type optoelectronic materials. [ABSTRACT FROM AUTHOR]

[Display omitted] • Doping of Ge,Sn,Pb on halide base element improve the electronic, and optical properties. • Effect of metalloids and post transition metals enhance the visible-light absorption of RbXCl 3 (X = Ge, Sn, Pb) • Electronic, and optical properties of materials. • The low recombination rate and charge carrier transportation supported to improve the efficiency of solar cell mechanism. This work aims to test the structural, electronic, and optical properties of RbXCl 3 (X = Ge, Sn, Pb). The presented discussion is reported through the Cambridge Assembly Serial Total Energy Package (CASTEP) based on density functional theory (DFT). DFT with the Generalized Gradient Approximation GGA correlational function and ultra-soft pseudo potential (PBE) is reported. RbGeCl 3 , RbSnCl 3 , and RbPbCl 3 are in the cubic phase. The calculated band gaps of RbGeCl 3 , RbSnCl 3 , and RbPbCl 3 are 1.03, 1.07, and 2.13 eV, respectively. The finding of a band gap is very well corroborated by the existing data. The band structures are further evaluated by partial density of state (PDS) and total density of state (TDOS). The partial and total density of states confirms the degree of localization of electrons. Optical properties were discussed in detail with the hypothetical dielectric function. It has been found that the dielectric function exhibits a wide range of energy transparency concerning its dielectric function. Materials were found to be effective in absorbing ultraviolet light, and having narrow band gaps which may be used for optoelectronic and solar cell appliances. [ABSTRACT FROM AUTHOR]

In this report, the electronic structure, mechanical stability, optoelectronic, thermoelectric and photocatalytic response of inorganic halide perovskites Rb 2 BCl 6 (B= Pb, Ti) have been simulated first time by using density functional theory (DFT). Modified Becke-Johnson (mBJ) potential along with spin-orbit coupling (SOC) effect is applied for accurate calculations. The calculated ground-state lattice parameters, negative formation energy values and positive phonon frequencies endorse the stability of both compounds. The band structure plots display the semiconductor character of both perovskites. The mechanical stability has been determined with the Bulk and Young modulus, Poisson ratio, along with the calculation of elastic constants. The calculated optical response reveals a high dielectric constant and absorption coefficient with low reflectivity. These compounds are revealed to have a higher figure of merit (ZT) than the typical metal halide perovskites with the values of 0.732 and 0.72 for Rb 2 PbCl 6 and 0.724 and 0.71 for Rb 2 TiCl 6 at 800K with mBJ and mBJ+SOC, respectively. The Seebeck coefficient and figure of merit present good values at high temperatures. The photocatalytic activity has shown the water-splitting ability of Rb 2 TiCl 6. The overall analysis of the calculated properties shows that the studied halide perovskites are suitable for optoelectronic, thermoelectric and photocatalytic applications. [ABSTRACT FROM AUTHOR]

Thin films of manganese (III) chloride 5,10,15,20-tetraphenyl-21H,23H-porphine (MnTPPCl) with different film thickness were deposited by an evaporation technique. Some optical constants were calculated for these films at a thickness of 110, 220 and 330 nm and annealing temperature of 373 and 437 K. IR spectrum demonstrating that the thermal evaporation method is a good one to acquire undissociated and stoichiometric MnTPPCl films. Our perceptions demonstrate that the mechanism of the optical absorption obeys with the indirect transition. It was found that the energy gap, E g , affected by the film thickness and annealing. Dispersion of the refractive index is described using single oscillator model. Dispersion parameters are calculated as a function of the film thickness and annealing temperature. In addition, the third-order nonlinear susceptibility, χ (3) , and the nonlinear refractive index, n 2 , were calculated. [ABSTRACT FROM AUTHOR]

Highly demanding efficiency, scaling and cost led the researchers to predict and synthesize two-dimensional transition metal dichalcogenides for advanced technology. Using the first-principles calculations, we study the optoelectronic properties, and device absorption efficiency of Janus SnSSe monolayer. The Janus SnSSe exist in two different phases, 1T and 2H structures. We find the 1T structure dynamically more stable than the 2H structure due lower energy and no-negative frequencies in the phonon spectra. The 1T SnSSe possess semiconducting nature with an indirect band-gap of 1.61 eV. The Janus SnSSe possesses a strong absorption having sharp absorption edges, showing the transition of electron to the conduction band from the valence band. We find that the Janus SnSSe strongly absorb light below 4.0 eV, which show its prominent applications for solar cell. A strong absorption from infra-red to the ultra-violet region of light spectrum make it promising in the optical devices. Furthermore, the wider band gap nature having strong device absorption-efficiency could make it suitable for the top cell in the tandem architecture. • 1T structure of SnS 2 and SnSe 2 monolayer. • 1T structure dynamically more stable than the 2H structure. • Semiconductor nature with an indirect band gap of 1.61 eV. • Strong absorption with very sharp absorption edges. • Strong absorption having better absorbing efficiency in visible frequency range up to 3.4 eV. [ABSTRACT FROM AUTHOR]