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Lead-free perovskite of cesium tin chloride (CsSnCl 3) is being considered as a potential environmentally acceptable alternative for highly efficient perovskite solar cells (PSCs) for the outstanding optoelectronic properties and reduced biotoxicity and non-hazardous characteristics. The poisonous nature and poor environmental stability of lead (Pb)-based perovskite are major hurdles to their reliable applications, even though their power conversion efficiency (PCE) has exceeded 25%. In this research, the potential of thermally stable, non-toxic CsSnCl 3 perovskite for designing high-efficiency solar cells was explored using the SCAPS-1D software. The influence of CsSnCl 3 layer thickness, acceptor density, and defect density was studied to obtain optimum values as a reference cell, and the effect of these parameters on six electron transport layers (ETLs) as well as Cu 2 BaSnS 4 (CBTS) hole transport layer (HTL) was also evaluated. The impact of series resistance, shunt resistance, and the working temperature on the electrical parameters of the cell and corresponding quantum efficiency were also assessed. The ITO/ZnO/CsSnCl 3 /CBTS/Au heterostructure was found to be the most efficient device among six different configurations, with a champion PCE of 23.96%, J SC of 23.5 mA/cm2, V OC of 1.04 V, and FF of 86%. These results were validated by results obtained from the wxAMPS and a comparative study with recent reports was also performed. These validated simulation results provide a greater understanding of the eco-friendly CsSnCl 3 -based perovskite and its potential for applications in modern prominent photovoltaic and optoelectronic devices. [Display omitted] • Here, CsSnCl 3 -perovskite SC was investigated using SCAPS-1D for efficiency improvement. • Impact of absorber, ETL, and HTLs' thickness, acceptor and defect densities were evaluated. • Effect of series and shunt resistances, temperature, and quantum efficiency was also assessed. • ITO/ZnO/CsSnCl 3 /CBTS/Au heterostructure was found to be most efficient (PCE = 23.96%). • SCAPS-1D results were compared with literature and also validated by wxAMPS simulation. [ABSTRACT FROM AUTHOR]

Nanotubes are an exceptional class of materials whose unusual properties depend on geometry and composition. In this work, we have investigated the optoelectronic properties of aluminum nitride nanotube doped with boron in concentrations of 4.2 %, 8.3 %, and 12.5 % respectively. Analysis was done by considering the structural, electronic, and optical properties of the considered nanotubes using density functional theory implemented in quantum ESPRESSO and Yambo codes. Simulations revealed that doped aluminum nitride nanotube whose nitrogen atoms were replaced turned to metallic while doped aluminum nitride nanotube whose aluminum atoms were replaced retained its semiconducting characteristics showing various band gaps with different concentrations of dopants. Optical absorption behaviors revealed that 8.3 % B-doped aluminum nitride nanotube made better utilization of visible light than others and hence can be used as a candidate for dye degradation and wastewater treatment, solar cell, LED, and LASER. In the end, all the doped nanotubes were found to be worthy for various fields of science and technology. • DFT approach was used to study the optoelectronic properties of AlNNT under boron doping. • SWAlNNT was found to be stable with 4.2 %, 8.3 %, and 12.5 % separate doping of B atoms. • The 8.3 % systems demonstrated better utilization of visible light. • B-doped AlNNT was found to be worthy for LED, LASER and photocatalysis. [ABSTRACT FROM AUTHOR]

This research focuses on the synthesis of nanoscale cobalt spinel ferrite (CoFe 2 O 4) via the sol-gel auto-combustion method and its integration with polyvinylidene fluoride (PVDF) to fabricate CoFe 2 O 4 -PVDF nanocomposites. The characterization of cobalt ferrite, using techniques such as X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), revealed a pristine cubic spinel structure with a mean crystallite size of 46.61 nm, and a homogeneous particle distribution. A key finding is a marked reduction in AC conductivity upon incorporating CoFe 2 O 4 into the PVDF matrix, underscoring its potential in energy storage applications. The composite materials exhibit enhanced magnetic properties, including significant saturation magnetization and increased coercivity, making them prime candidates for high-density magnetic recording applications. Interestingly, the study also unveils that including CoFe 2 O 4 in PVDF does not alter the beta phase of PVDF, highlighting the compatibility and stability of the composite formation. Furthermore, the impedance analysis of the ferrite and composite samples revealed the predominance of grain boundary resistance, offering more profound insights into their electrical behaviour. This finding is pivotal in understanding the electrical conduction mechanisms within these nanocomposites. Despite the comprehensive analysis, the absence of the highest peak in the loss tangent indicates the necessity for further investigation into the dielectric loss dynamics of these materials. Overall, this research significantly advances the understanding of CoFe 2 O 4 nanostructures and their potential applications in advanced nanotechnology, particularly in energy storage and high-density magnetic recording. Future studies are expected to further refine these materials for a broader range of technological applications. • CoFe 2 O 4 Nanoparticle Synthesis - Used sol-gel auto-combustion to produce cobalt spinel ferrite. • Crystallite Size Determination - The average crystallite size of CoFe 2 O 4 was measured at 46.61 nm. • Characterization of PVDF- CoFe 2 O 4 Composites - Conducted detailed analysis of PVDF- CoFe 2 O 4 composites. • AC Conductivity Modulation with PVDF - Integration of PVDF resulted in reduced AC conductivity. • Significant Magnetic and Electric Properties were observed. [ABSTRACT FROM AUTHOR]