A novel copper-zinc-manganese trimetal oxide nanocomposite was synthesized by the simple co-precipitation method for sensing glucose and methylene blue degradation. The absorption maximum was found by ultraviolet–visible spectroscopy (UV-Vis) analysis, and the bandgap was 4.32 eV. The formation of a bond between metal and oxygen was confirmed by Fourier Transform Infrared Spectroscopy (FT-IR) analysis. The average crystallite size was calculated as 17.31 nm by X-ray powder diffraction (XRD) analysis. The morphology was observed as spherical by scanning electron microscope (SEM) and high-resolution transmission electron microscopy (HR-TEM) analysis. The elemental composition was determined by Energy Dispersive X-ray Analysis (EDAX) analysis. The oxidation state of the metals present in the nanocomposites was confirmed by the X-ray photoelectron spectroscopy (XPS) analysis. The hydrodynamic diameter and zeta potential of the nanocomposite were 218 nm and −46.8 eV, respectively. The thermal stability of the nanocomposite was analyzed by thermogravimetry-differential scanning calorimetry (TG-DSC) analysis. The synthesized nanocomposite was evaluated for the electrochemical glucose sensor. The nanocomposite shows 87.47% of degradation ability against methylene blue dye at a 50 µM concentration. The trimetal oxide nanocomposite shows potent activity against Escherichia coli. In addition to that, the prepared nanocomposite shows strong antioxidant application where scavenging activity was observed to be 76.58 ± 0.30, 76.89 ± 0.44, 81.41 ± 30, 82.58 ± 0.32, and 84.36 ± 0.09 % at 31, 62, 125, 250, and 500 µg/mL, respectively. The results confirm the antioxidant potency of nanoparticles (NPs) was concentration dependent.

In the present investigation, ZnO films co-doped with Mn and La were synthesized by the sol–gel technique. XRD analysis revealed that ZnO had a hexagonal structure. Mixed hexagonal and cubic phases appeared in ZnO containing Mn (1%) and La (1.5%). The grain size, d-spacing, unit cell, lattice parameters, atomic packing fraction, volume, strain, crystallinity, and bond length of co-doped ZnO films were determined as a function of doped ion contents. Through UV analysis, it was found that pristine ZnO had E_g = 3.5 eV, and it decreased when increasing the doping concentration, reaching the minimum value for the sample with 1% Mn and 1% La. The optical parameters of the films, such as absorption, transmittance, dielectric constants, and refractive index, were also analyzed. DSSCs were fabricated using the prepared ZnO films. For pure ZnO film, the values were: efficiency = 0.69%, current density = 2.5 mAcm⁻², and open-circuit voltage = 0.56 V. When ZnO was co-doped with Mn and La, the efficiency increased significantly. DSSCs with a ZnO photoanode co-doped with 1% Mn and 1% La exhibited maximum values of J_sc = 4.28 mAcm⁻², V_oc = 0.6 V, and efficiency = 1.89%, which is 174% better than pristine ZnO-based DSSCs. This material is good for the electrode of perovskite solar cells.

The variant double perovskites are considered novel materials for solar cells and optoelectronic applications. Here, we explored electronic, mechanical, and optical characteristics of Cs₂SeX₆ (X = Cl, Br, I) by density functional theory (DFT) analysis. The tolerance factor between 0.97–1.0 signifies the structural stability of the investigated compounds while thermodynamic and mechanical stabilities were ensured by positive frequencies of phonon dispersion as well as elastic constants. Moreover, the Poisson and Pugh's ratios are explored for brittle and ductile behavior. The Debye and melting temperatures have also been reported through mechanical analysis. The tuning of the bandgap takes place from 3.10 to 2.64 eV and then 1.15 eV by substitution of Cl with Br and I, respectively. The optical spectra show a shift in absorption region from ultraviolet-to-visible. In addition, the low light reflection and optical energy loss range (0.0–3.0 eV) promises potential of the studied potential for solar cells and optoelectronics uses.

In this research, the ternary non-centrosymmetric chloroperovskites compounds of the form ABCl₃ (A = Rb and B = Be, Mg) are investigated extensively to predict the structural, mechanical, and optoelectronic properties with DFT incorporated in WIEN2K code. The crystalline structure of interested chloroperovskites is identified to be cubic, non-centrosymmetric, and stable. The elastic constants C_ij, bulk modulus, criteria of Pugh ratio, and the Born criteria confirm the ductility and mechanical stability of ternary RbBeCl₃ and RbMgCl₃ materials. Electronic properties such as the band structures and density of states are examined with the most widely recognized TB-mBJ potential approximation. RbBeCl₃ shows semiconducting behaviour with an indirect wide band gap energy of 3.74 eV from R-Γ symmetries points, while RbMgCl₃ is assumed to be an insulator that possesses indirect wide band gap energy of 6.28 eV from R-Γ. It is identified that the ABCl₃ (A = Rb and B = Be, Mg) non-centrosymmetric compounds change the behavior from wide band gap semiconductors to perfect insulators when the ‘B’ site in ABCl₃ varies from ‘Be’ to ‘Mg’ element. In the electromagnetic range from 0 eV to 40 eV of incident photons energy, several parameters in optical properties that includes the dielectric function, refractive index, absorption coefficient, optical conductivity, extinction coefficient, and energy loss function are investigated for the quest of potential applications of interested non-centrosymmetric cubic systems in modern photovoltaic technologies. These outcomes may add inclusive understanding within ultraviolet ranges for photovoltaic applications.

Prediction of new materials is crucial for the advancement of technology. Here, in this research work, the first-principle computation has been conducted utilizing the WIEN2K package to probe the structural, electronic, mechanical, and optical properties of barium-based chloroperovskites BaMCl₃ (M = Ag, Cu) compounds. The optimized lattice constants are calculated for both compounds which are 9.90 Bohr for BaAgCl₃ and 9.38 Bohr for BaCuCl₃. To obtain better and more precise results for the electronic band’s structure, TDOS and PDOS (total and partial density of states), and the TB-mBJ potential approximation are employed. The indirect band gap (R–Γ) is found for both compounds having values of 1.173 eV and 2.30 eV for BaCuCl₃ and BaAgCl₃, respectively, which depicts its semiconducting nature. The calculation of elastic properties is conducted with IRelast code. The Cauchy pressure, Bulk modulus, Young’s modulus, Shear modulus, anisotropic ratio, Kleinman parameters, and Poisson’s ratio are calculated from the obtained elastic constants. The computation of elastic parameters indicates that the interested chloroperovskites are anisotropic, mechanically stable, hard to scratch, and ductile. From 0 eV to 40 eV incident photon energy ranges, the various optical parameter such as refractive index, absorption coefficient, dielectric function, reflectivity, extinction coefficient, and optical conductivity are analyzed. These compounds absorb maximum light within 5 to 25 eV incident photon energy. Hence, these materials are good light absorbers, therefore, they can be used in optoelectronic devices for high-frequency applications.

In this paper, we report on nanodisc-shaped MgCo₂O₄ wrapped with ZnS, achieved using the sol–gel-assisted hydrothermal method. This enhances the electrochemical performance, with the electrode delivering superior supercapacitive performance compared to MgCo₂O₄. Moreover, the nanodisc provides more active sites and allows smooth charge transfer during faradaic reactions. The nanodisc-shaped MgCo₂O₄ with ZnS delivers a capacitance of approximately 910 F/g at 1 A/g. The fabricated asymmetric capacitor is composed of MgCo₂O₄@ZnS and activated carbon (AC). The nanodisc-shaped MgCo₂O₄@ZnS provides more active sites and allows the smooth transport of electrons during long-term cycling. In addition, the electrode side reactions and electrolyte decomposition are significantly reduced due to the ZnS coating on the surface of the MgCo₂O₄, allowing this asymmetric capacitor to deliver an energy density of 43 Wh·kg⁻¹ at 1454 W·kg⁻¹. The performance of the asymmetric capacitor exhibits enhanced supercapacitive performance and opens a new way to investigate asymmetric supercapacitor devices.