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The power conversion efficiency (PCE) of cesium lead halide (CsPbX3, X = l, Br, and Cl)-based all-inorganic perovskite solar cells (PSCs) is still struggling to compete with conventional organic–inorganic halide perovskites. A combined material and device-related analysis is much needed to understand the working principle to explore the efficiency potential of CsPbX3-based PSCs. Therefore, here, density functional theory (DFT) and SCAPS-1D-based studies were reported to evaluate the photovoltaic (PV) performance of CsPbBr3-based PSCs. DFT is first applied to assess and extract structural and optoelectronic properties (band structure, density of states, Fermi surface, and absorption coefficient) of the considered absorber layer. The calculated electronic band gap (Eg) of the CsPbBr3absorber was 1.793 eV, which matched well with the earlier computed theoretical value. Additionally, the Pb 6p orbital contributed largely to the calculated density of states (DOS), and the electronic charge density map showed that the Pb atom acquired the majority of charges. In order to examine the optical response of CsPbBr3, optical characteristics were computed and correlated with electronic properties for its probable photovoltaic applications. Fermi surface computation showed multiband characters. Furthermore, to look for a suitable combination of the charge transport layer, a total of nine HTLs (Cu2O, CuSCN, P3HT, PEDOT:PSS, Spiro-MeOTAD, CuI, V2O5, CBTS, and CFTS) and six ETLs (TiO2, PCBM, ZnO, C60, IGZO, and WS2) are used considering the experimental Eg(2.3 eV). The best power conversion efficiency (PCE) of 13.86% is reported for TiO2and CFTS in combination with the CsPbBr3absorber. The effects of operating temperature, series and shunt resistances, Mott–Schottky, capacitance, generation and recombination rates, quantum efficiency, and current–voltage density were also examined. The resulting PV properties were also compared with previously published data. Results reported in this study will pave the way for the development of high-efficiency all-inorganic CsPbBr3-based solar cells in the future.

Ca2+-doped MgCO3forms a porous matrix that can encapsulate polyethylene glycol 6000 (PEG) using a simple impregnation method to form a shape-stabilized functional phase change composite for use in thermal energy storage. A facile hydrothermal route was developed to prepare unique rhombohedral anhydrous MgCO3. The rhombohedral building blocks disintegrated during a hydrothermal reaction in the presence of 15 mol % Ca2+(15CaMgCO3) to produce very small particles with a porous structure. The hydrothermally synthesized 15CaMgCO3powders were used to encapsulate PEG and form a phase change material that did not leak liquid PEG during phase transitions. This PEG/15CaMgCO3shape-stabilized composite phase change material displayed reproducible behavior over a large number of thermal cycles. Differential scanning calorimetric (DSC) results indicate that the melting temperature of the PEG/15CaMgCO3material is 61.59 °C, and the latent heat is 193 J/g. The composites have significantly higher thermal enthalpies, high thermal conductivities, and less supercooling than those of long-established shape-stabilized phase change materials (PCMs). The presence of OH–on the surface of the PCM probably mitigates the supercooling effect. These results were confirmed with DSC and thermogravimetric analysis, and the characteristics of the PCMs were investigated by using scanning electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction, Fourier transform infrared spectroscopy, and pore size distribution data.