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In recent years, there has been significant research interest in lead-free double perovskite materials owing to their environmentally friendly characteristics. In this study, we investigate the double perovskite material Dy2NiMnO6 (DNMO) as an absorber layer within the proposed structure (ITO/WS2, C60, PCBM/DNMO/CFTS/Au). The structure was analyzed in detail using SCAPS-1D (solar cell capacitance simulator). Our research aims to elucidate how the performance of solar cells is influenced by the selection of appropriate electron transport layer (ETL) and HTL configurations in conjunction with the absorber layer. Device optimization involves testing WS2, C60, and PCBM as ETL materials, CFTS as HTL, and Au as the back contact. In addition to selecting suitable ETL and HTL materials, various factors such as the absorber, ETL, and HTL thickness, shunt and series resistance, temperature, Mott–Schottky behavior, capacitance, recombination, generation rates, J–V characteristics, and quantum efficiency were investigated. Following thorough exploration, the ITO/WS2/DNMO/CFTS/Au structure exhibited the highest performance among the ETLs, with a power conversion efficiency (PCE) of 26.72%, a Voc of 0.7412 V, and a Jsc of 44.6795 mA cm−2. In this study, we present the highest reported efficiency with a detailed investigation of the Dy2NiMnO6 material. This comprehensive simulation analysis offers insights into the development of cost-effective and highly efficient perovskite solar cells (PSCs), thereby driving advancements in solar technology. [ABSTRACT FROM AUTHOR]

This study investigates the structural, mechanical, optical, thermal, and electronic properties of the ionic semiconducting materials XZrS3 (X = Ca, Ba) within the framework of density functional theory (DFT). Here, the elastic constants, modulus (bulk, shear, Young's), ratios (Pugh, Poisson) and elastic anisotropy for XZrS3 (X = Ca, Ba) are studied. Furthermore, the electronic, optical, and thermal properties for XZrS3 (X = Ca, Ba) are regenerated and designed using the values obtained with Cambridge Serial Total Energy Package (CASTEP) software. The calculated lattice parameters show excellent agreement with theoretical and experimental values. The elastic stiffness constants confirm the mechanical stability of both compounds. Although XZrS3 (X = Ca, Ba) is elastically anisotropic, it has little optical anisotropy. The electronic band structures of the material exhibit direct-bandgap semiconducting behavior, with values of 1.3 eV (CaZrS3) and 1.1 eV (BaZrS3) using the generalized gradient approximation (GGA), respectively, which is ideal for solar cell (0.9–1.56 eV) and optoelectronic device applications. Bandgap values of 1.9 eV and 1.6 eV are found for CaZrS3 and BaZrS3, respectively, using the Heyd–Scuseria–Ernzerhof HSE06 functional, which is consistent with previous theoretical and experimental bandgap results. The optical properties including dielectric function, refractive index, absorption coefficient, reflectivity, and loss function are characterized using the GGA of Perdew–Burke–Ernzerhof (GGA-PBE) and HSE06 methods and are discussed in detail. Because of the relatively low Debye temperature (D), thermal conductivity of the lattice (kph), and minimum thermal conductivity (Kmin), the studied materials can be used as thermal barrier coating (TBC) materials. The capacity of heat, Debye temperature, and thermal coefficient of expansion are all computed. [ABSTRACT FROM AUTHOR]

In this study, we have calculated the structural, mechanical, elastic anisotropy, electronic, optical, and thermal properties of Ba3SbI3 perovskite using first-principles-based DFT calculations. We have computed the crystal structure and lattice parameters (a = 7.05 Å) which consisted with previous theoretical and experimental results. The Ba3SbI3 is stable as checked by the standards of mechanical stability criteria, ductile in nature, and elastically anisotropic. Semiconductor feature of Ba3SbI3 is ensured from the band structure, total density of states (TDOS) and partial density of states (PDOS) calculations as the difference of conduction band (CB) and valence band (VB) in the Fermi level. From the electron charge density mapping, it exhibits ionic bond nature. Furthermore, optical properties have investigated in details. The Debye temperature (123.776 K), thermal conductivity (0.247 Wm−1 K−1), and melting temperature (123.776 K) of the Ba3SbI3 compound were calculated and analyzed, which is potential candidates of thermal barrier coating (TBC) material. [ABSTRACT FROM AUTHOR]

Salinity intrusion is a global concern in relation to sustainable agricultural practices. About three-fourths of the coastal area in Bangladesh is affected by different levels of salinity. This study was conducted to observe the effects of NaCl-salinity on tomato (Lycopersicon esculentum Mill.) plants in a pot experiment. Morphological properties and yield of five varieties of Bangladesh Agricultural Research Institute tomato (BARI-T 1, BARI-T 2, BARI-T 3, BARI-T 4, and BARI-T 5) plants were exposed to NaCl-salinity (2, 4, 6 and 8 dS/m) through irrigation. Morphological properties such as number of leaves, leaf length, leaf width, number of days of flowering, number of flowers and number of branches were observed. Results showed that morphological properties of all studied tomato plants were affected by increasing NaCl-salinity, except number of days of flowering, and yield was reduced compared to the control group (tap water; 0.043 dS/m). The post-harvest pot soil was also affected by NaCl-salinity irrigation. This study can be useful in selecting salt-tolerant varieties in saline-affected areas.