Journal of Engineering in Industrial Research

Abstract This study suggests novel lead-free perovskite solar cell architecture with double absorber layers of CsGeI₃ and MASnI₃ to eliminate lead toxicity while maintaining high efficiency. Using SCAPS-1D simulations, critical parameters-absorber layer thickness, doping density, and defect density- were systematically optimized to enhance photovoltaic performance. The optimized structure (FTO/ZnO/MASnI₃/CsGeI₃/NiO) achieved a power conversion efficiency (PCE) of 32.07%, with an open-circuit voltage (Voc) of 1.166 V, Short-circuit current density (Jsc) of 30.72 mA/cm², and fill factor (FF) of 89.52%. Key findings reveal that a 1200 nm thickness for both CsGeI₃ and MASnI₃ layers maximizes light absorption and carrier generation, while a doping density of 10²⁰ cm^-3 strengthens the built- in electric field, improving charge separation. Defect density optimization highlights the critical role of the MASnI₃layer, where reducing defects to 10¹² cm^-3 minimizes the recombination losses. Interface defect densities at NiO/CsGeI₃, CsGeI₃/MASnI₃, and MASnI₃/ZnO were optimized to 10¹⁰ cm^-3, with MASnI₃/ZnO exhibiting the highest sensitivity to defects. This work demonstrates the viability of lead-free perovskites for high-efficiency solar cells. The results pave the way for experimental validation and scalable production, aligning with safe renewable energy purposes.

Abstract The electrochemical surface area (ECSA) is a key parameter in evaluating and optimizing electrocatalysts, as it directly correlates with the number of active sites available for charge transfer processes. This article explores the principles, methodologies, and applications of ECSA determination, with a particular focus on cyclic voltammetry (CV) as a widely used technique for its measurement. Various experimental factors, including electrolyte selection, scan rate, and electrode preparation, discussed in relation to their impact on measurement accuracy. The relationship between ECSA and catalytic activity was examined across multiple electrochemical reactions, such as the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), hydrazine oxidation reaction (HzOR), and urea oxidation reaction (UOR). Although conventional methods provide valuable insights, challenges such as empirical reference charge dependencies and material-specific variability necessitate improved approaches. Emerging strategies, including hybrid electrochemical techniques, computational modeling, and machine learning-assisted analysis, offer promising advancements in refining ECSA evaluation. A more precise and standardized understanding of ECSA will facilitate the rational design of next-generation electrocatalysts with enhanced efficiency, stability, and applicability in sustainable energy technologies.

Abstract Coal use is declining due to policies and competition, leading to lower emissions. Central and Eastern Europe are working towards reducing Sulfur dioxide (SO₂) and Nitrogen oxides (NO_x) emissions, while Iran is transitioning to gas and modern technologies to reduce pollution. This study focuses on Iran's greenhouse gas emissions from 1996 to 2017 in these sectors. A literature review was conducted on pollutants such as NO_x, SO₂, and Carbon dioxide (CO₂) using sources like Google Scholar. Data on emissions from Iran’s sectors from 1996 to 2017 were analyzed using SPSS v27. In the power plant sector, NOx emissions increased from 84,442 tons in 1996 to 651,833 tons in 2017, while SO₂ emissions decreased from 365,467 tons to 239,623 tons. Methane emissions in the industrial sector have decreased due to advancements in technology and stricter regulations. In the industrial sector, both NO_x and CO₂ emissions also increased. The rise in NO_x emissions is attributed to the growing energy demands, particularly in developing regions. Fossil fuels are major emitters of NO_x, underscoring the importance of advancing technology and transitioning to cleaner fuels. SO₂ levels decreased due to regulations, but CO₂ emissions rose alongside industrial expansion. Solutions to these challenges include adopting renewable energy sources and low-carbon technologies. While Carbon monoxide (CO) emissions increased, methane emissions declined due to technological advancements. Suspended Particulate Matter levels increased with economic growth, and nitrous oxide emissions rose with higher energy demands. Combatting climate change requires solutions such as renewable energy, low-carbon technology, and education.

Abstract This article presents a comprehensive computational investigation on the hydrogen storage efficacy of R-substituted [M-doped Imidazolene-Li)]⁺ complexes; [R represents –CF₃, –CN, or –CH_3, and M denotes C, Si, or Ge] in the light of density functional theory (DFT). Optimized structures of both the initial complexes and their hydrogen-loaded analogues reveal that the nature of the substituent and the identity of the central atom (C, Si, and Ge) significantly affect the electronic properties and aromaticity of the systems. Global reactivity parameters and aromaticity values indicate that –CN substitutions enhance electron-accepting tendencies, particularly in the C-based complexes, while Si and Ge-based systems display increased electronic softness. Progressive adsorption of H₂ molecules results in decreasing average adsorption energies, underscoring the favorable stabilization upon hydrogen uptake. NBO charge analyses reveal a decrease in the positive charge at the Li center with successive H₂ adsorption, and both ELF and NCI plots confirm that the interactions with hydrogen are predominantly non-covalent. Temperature-dependent Gibbs free energy calculations suggest that lower temperatures favor hydrogen adsorption, though selected complexes retain spontaneity at ambient temperature. Gravimetric analyses further demonstrate that C-based complexes achieve higher hydrogen storage capacities, with values reaching up to 13.53 wt%. Additionally, atom-centered density matrix propagation (ADMP) simulations highlight the kinetic stability of these systems at low temperatures, with noticeable desorption at elevated temperatures. Overall, this study emphasizes the critical role of molecular engineering in optimizing hydrogen storage materials for renewable energy applications.

Abstract The application of engineered nanoparticles (ENPs) in agriculture has garnered significant attention due to their potential to enhance soil health, nutrient availability, and plant growth. ENPs interact with soil ecosystems by modulating microbial diversity, influencing macro-organisms, and altering root physiology. While certain nanoparticles improve nutrient uptake and stimulate beneficial microbial activity, others exhibit toxicity that may disrupt soil biodiversity and ecological balance. The effects of ENPs on plant roots range from improved permeability and nutrient absorption to oxidative stress and cellular damage. Their interactions with soil microbiota and macro-organisms highlight the complexity of their ecological impact, necessitating a careful evaluation of their long-term sustainability. This review synthesizes current findings on ENP-soil interactions, emphasizing their dual role as both enhancers and potential stressors within agricultural environments. Future research should focus on mitigating risks associated with nanoparticle accumulation in soil while optimizing their benefits for sustainable agricultural practices.

Abstract Nigeria’s 2.5-million-ton plastic waste crisis demands sustainable solutions. This study compared thermal pyrolysis of polystyrene (PS), low-density polyethylene (LDPE), and a 50:50 LDPE-PS mixture chosen arbitrarily, in a fixed-bed batch reactor at 450 °C under nitrogen. Yields were measured by mass, and oils were analyzed for density, viscosity, and composition. PS yielded 97.0 ± 1.2 wt% liquid fuel, 2.5 ± 0.3 wt% gas, and 0.5 ± 0.1 wt% char (Table 1), outperforming LDPE (74.7 ± 1.5 wt% liquid) and the mixture (88.0 ± 1.3 wt% liquid). PS oil’s low density (0.886 g/cm³) and high carbon content (92.1 wt%, Table 3) suit fuel applications, while LDPE’s profile (87.8 wt\% carbon) aligns with diesel (Table 2). The mixture provides versatility for mixed-waste processing. Pyrolysis reduces reliance on landfills, generates revenue, and supports Nigeria’s energy security.