Eco-friendly inorganic halide perovskite materials with numerous structural configurations and compositions are now in the leading place of researcher’s attention for outstanding photovoltaic and optoelectronic performance. In the present approach, density functional theory calculations have been performed to explore the structural, mechanical, electronic, and optical properties of perovskite-type CsGeCl3 under various hydrostatic pressures, up to 10 GPa. The result shows that the optical absorption and conductivity are directed toward the low-energy region (red shift) remarkably with increasing pressure. The analysis of mechanical properties certifies that CsGeCl3 has ductile entity and the ductile manner has increasing affinity with applied pressure. The decreasing affinity of the bandgap is also perceived with applied pressure, which notifies that the performance of the optoelectronic device can be tuned and developed under pressure.
All-inorganic cubic cesium germanium bromide (CsGeBr3) and cesium tin bromide (CsSnBr3) perovskites have attracted much attention because of their outstanding optoelectronic properties that lead to many modern technological applications. During their evolution process, it can be helpful to decipher the pressure dependence of structural, optical, electronic, and mechanical properties of CsXBr3 (X = Ge/Sn) based on ab initio simulations. The lattice parameter and unit cell volume have been decreased by applying pressure. This study reveals that the absorption peak of CsXBr3 (X = Ge/Sn) perovskites is radically changed toward the lower photon energy region with the applied pressure. In addition, the conductivity, reflectivity, and dielectric constant have an increasing tendency under pressure. The study of electronic properties suggested that CsXBr3 (X = Ge/Sn) perovskites have a direct energy bandgap. It is also found through the study of mechanical properties that CsXBr3 (X = Ge/Sn) perovskites are ductile under ambient conditions and their ductility has been significantly improved with pressure. The analysis of bulk modulus, shear modulus, and Young’s modulus reveals that hardness of CsXBr3 (X = Ge/Sn) perovskites has been enhanced under external pressure. These outcomes suggest that pressure has a significant effect on the physical properties of CsXBr3 (X = Ge/Sn) perovskites that might be promising for photonic applications.
To date, rare earth oxides (REOs) have proven to be key components in generating sustainable energy solutions, ensuring environmental safety and economic progress due to their diverse attributes. REOs' exceptional optical, thermodynamic, and chemical properties have made them indispensable in a variety of sophisticated technologies, including electric vehicle magnets, portable energy devices, fuel cell catalysts, radiation shielding, dosimetry, and many others. Therefore, the successful incorporation of rare earth elements (REEs) into host materials in controlled concentrations offers competitive advantages to fabricate portable energy devices, radiation sensors, and radiation shielding glasses, as well as to improve the performance of existing photovoltaic cells, which is of great interest to both researchers and industry. As the global demand for REEs grows rapidly, it is critical to comprehend the underlying physics as well as the wider consequences of REEs on sustainable energy and nuclear technologies, both in the near and long term. However, despite their relevance, a focused review on the applications, prospects, and challenges of REOs in photovoltaics, nuclear, and energy devices is still unavailable. To this effort, this review succinctly reports recent experimental studies on eight REOs (R 2 O 3 , R = Yb, Er, Sm, Eu, Y, Gd, Dy, and Ce) and their specific applications and industrial aspects. While several subdomains are reported, the applications of REOs in next-generation solar cells and photovoltaic devices for promoting zero-emission clean energy and rechargeable batteries for electric vehicles (EVs) are the most pioneering ones. Furthermore, REOs' chemical stability and compositional versatility allow them to be used in a variety of high-efficiency energy converters, including solid oxide fuel cells (SOFCs). From the perspective of thermodynamic and structural stability, the gamma and neutron absorptivity of REO-doped (such as Dy 3+ , Eu 3+ , Sm 3+ , Nd 3+ , etc.) glasses shows improved shielding performance in radiation domains. Aside from the applications, the prospects of REOs presented in this article are likely to encourage current and future scholars to pursue a wide range of important studies in the fields of energy and nuclear systems. This review also reports the key challenges (i.e., material degradation, phase transformation, magnetic entropy shift, etc.) associated with REOs in a standalone section. These challenges demand the immediate attention of scientists and engineers for efficient, costeffective, and environmentally sustainable solutions. At the end, future advancement pathways for REO applications are also suggested.
In this article, pure and 2 M% dysprosium (Dy)-doped α-MoO3 nanobelts have been successfully synthesised by the autoclave assisted-hydrothermal method. The x-ray diffraction (XRD) patterns revealed that the nanobelts were crystalline in nature with an orthorhombic structure. The sharp and narrow XRD peaks divulged the high quality with good crystallinity of the nanobelts. The intensity of the peak (040) increased and shifted towards lower 2θ values which reflected the successful incorporation of Dy in MoO3 matrix. The scanning electron microscopy (SEM) images revealed the formation of randomly distributed nanobelts with average width of 90–150 nm and length of 950–1300 nm. Vibration behaviour of chemical bonds was characterised by Fourier-transform infrared spectroscopy (FTIR) and the detected peaks confirm the formation of orthorhombic structure of MoO3. The energy dispersive x-ray spectroscopy (EDX) spectra confirmed the Dy incorporation in the MoO3 matrix. Debye–Scherrer method, Wilson method, Williamson Hall (W − H) and Halder-Wagner (H − W) analyses have been employed to investigate the different parameters (such as crystallite size and lattice strain) and to analyse their contribution on the XRD peak broadening of the nanobelts. The crystallinity improved as the average crystallite size increased, and FWHM, lattice strain and dislocation density decreased after Dy doping. The obtained values of crystallite size estimated using Debye–Scherrer equation, and W − H and H − W plots, are nearly similar, highly inter-correlated and in the range of 26.06–31.44 nm. The Halder-Wagner (H-W) plots give the more precise results of different microstructural parameters by analysing XRD peak broadening of both samples compared to Debye–Scherrer and Williamson Hall methods.
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