Bismuth layered structure ferroelectrics (BLSFs), also known as Aurivillius phase materials, are ideal for energy-efficient applications, particularly for solar cells. This work reports the first comprehensive detailed theoretical study on the fascinating structural, electronic, and optical properties of XNb₂Bi₂O₉ (X = Ca, Ba, Be, Mg, Sr). The Perdew–Burke–Ernzerhof approach and generalized gradient approximation (GGA) are implemented to thoroughly investigate the structural, bandgap, optical, and electronic properties of the compounds. The optical conductivity, band topologies, dielectric function, bandgap values, absorption coefficient, reflectivity, extinction coefficient, refractive index, and partial and total densities of states are thoroughly investigated from a photovoltaics standpoint. The material exhibits distinct behaviors, including significant optical anisotropy and an elevated absorption coefficient > 10⁵ cm⁻¹ in the region of visible; ultraviolet energy is observed, the elevated transparency lies in the visible and infrared regions for the imaginary portion of the dielectric function, and peaks in the optical spectra caused by inter-band transitions are detected. According to the data reported, it becomes obvious that XNb₂Bi₂O₉ (X = Ca, Ba, Be, Mg, and Sr) is a suitable candidate for implementation in solar energy conversion applications.

It is of great significance to design electrochemical energy conversion and storage materials with excellent performance to fulfill the growing energy demand. Bimetallic cobalt/nickel-based electrode materials exhibit excellent electrical conductivity compared to mono oxides. However, their potential as electrode materials for high-performance supercapacitors (SCs) is limited because of their poor cycling stability and high-capacity fading. This work demonstrates the synthesis of binder-free bimetallic NiCo₂O₄ nano-needles supported on CC (NCO@CC) via a facile and scalable hydrothermal process. Excellent electrical conductivity and interconnected nanostructure of NCO@CC nano-needles provide the fast transfer of electrons with numerous channels for ion diffusion. Owing to such features, the binder-free NCO@CC electrode for SC discloses excellent specific capacitance (1476 Fg⁻¹ at 1.5 Ag⁻¹) with 94.25% capacitance retention even after 5000 cycles. From these outstanding electrochemical performances, it can be inferred that NCO@CC nano-needle array-structured electrodes may be potential candidates for SC applications.

Organic–inorganic lead halide perovskites materials have emerged as an innovative candidate in the development of optoelectronic and photovoltaic devices, due to their appealing electrical and optical properties. Herein, mix halide single-layer (~95 nm) and multilayer (average layer ~87 nm) CH₃NH₃PbIBr₂ thinfilms were grown by a one-step spin coating method. In this study, both films maintained their perovskite structure along with the appearance of a pseudo-cubic phase of (200) at 30.16°. Single-layer and multilayer CH₃NH₃PbIBr₂ thinfilms displayed leaky ferroelectric behavior, and multilayered thinfilm showed a leakage current of ~5.06 × 10⁻⁶ A and resistivity of ~1.60 × 10⁶ Ω.cm for the applied electric field of 50 kV/cm. However, optical analysis revealed that the absorption peak of multilayered perovskite is sharper than a single layer in the visible region rather than infrared (IR) and near-infrared region (NIR). The band gap of the thinfilms was measured by Tauc plot, giving the values of 2.07 eV and 1.81 eV for single-layer and multilayer thinfilms, respectively. The structural analysis has also been performed by Fourier transform infrared spectroscopy (FTIR). Moreover, the fabricated CH₃NH₃PbIBr₂ as an absorber layer for photoelectric cell demonstrated a power conversion efficiency of 7.87% and fill factor of 72%. Reported electrical, optical and photoelectric efficiency-based results suggest that engineered samples are suitable candidates for utilization in optoelectronic and photovoltaic devices.

In the present era of advanced technology, the surge for suitable multifunctional materials capable of operating above 300 °C has increased for the utilization of high-temperature piezoelectric devices. For this purpose, a pseudo-tetragonal phased CaBi₄Ti_3.98 (Nb_0.5Fe_0.5)_0.02O₁₅:xwt%MnO₂ (CBTNF:xMn), with x = 0–0.20, ceramic system has been engineered for the investigation of structural, ferroelectric, dielectric and high-temperature-dependent piezoelectric properties. XRD analysis confirms that low-content Mn-ion insertion at the lattice sites of CBTNF does not distort the pseudo-tetragonal phase lattice of CBTNF:xMn ceramics, but enhances the functional behavior of the ceramic system, specifically at x = 0.15 wt%Mn. Compared to pure CBT and CBTNF ceramics, CBTNF:0.15Mn has demonstrated a highly dense relative density (~96%), a saturated polarization (P_S) of 15.89 µC/cm², a storage energy density (W_ST) of ~1.82 J/cm³, an energy-conversion efficiency (ƞ) of ~51% and an upgraded piezoelectric behavior (d₃₃) of 27.1 pC/N at room temperature. Sharp temperature-dependent dielectric constant (ε_r) peaks display the solid ferroelectric behavior of the CBTNF:0.15Mn sample with a Curie temperature (T_C) of 766 °C. The thermally stable piezoelectric performance of the CBTNF:0.15Mn ceramic was observed at 600 °C, with just a 0.8% d₃₃ loss (25 pC/N). The achieved results signify that multi-valence Mn ions have effectively intercalated at the lattice sites of the pseudo-tetragonal phased CBTNF counterpart and enhanced the multifunctional properties of the ceramic system, proving it to be a durable contender for utilization in energy-storage applications and stable high-temperature piezoelectric applications.