Noureddine Elboughdiri

This study employs DFT and SCAPS‐1D device simulations to investigate Mg ₃ PBr ₃ as a novel lead‐free photovoltaic absorber. The material is selected as a sustainable alternative to conventional Pb‐based halide perovskites due to its earth‐abundant composition and environmental compatibility. Thermodynamic stability is confirmed by a negative formation energy of −2.99 eV/atom, indicating resistance against elemental decomposition. Phonon dispersion calculations reveal the absence of imaginary frequencies, confirming dynamic stability, while elastic constant analysis satisfies the Born stability criteria, demonstrating mechanical robustness suitable for thin‐film device fabrication. Electronic structure analysis shows semiconducting behavior with mixed ionic–covalent bonding characteristics, and moderate effective masses suggest favorable carrier transport. SCAPS‐1D simulations, based on coupled Poisson and continuity equations, are performed for the Al/FTO/CdS/Mg ₃ PBr ₃ /Au device architecture to evaluate photovoltaic performance. The optimized device yields a PCE of 21.45%, with a J _SC of 31.27 mA cm ⁻² , V _OC of 0.82 V, and FF of 82.90%. Compared to Pb‐based perovskites, Mg ₃ PBr ₃ offers improved environmental safety and material sustainability. However, as the study is fully computational, uncertainties arise from DFT functional limitations, idealized interfaces, and the lack of experimentally validated defect and transport parameters. Overall, Mg ₃ PBr ₃ is identified as a promising lead‐free photovoltaic absorber for next‐generation solar cells.

Zero liquid discharge (ZLD) is increasingly promoted to reduce freshwater use and eliminate wastewater discharge in the textile sector, one of the most water-intensive and pollutant-generating industries. Although ZLD literature is growing rapidly, it remains unclear whether feasibility-related aspects (economic viability, energy demand, and environmental performance) are integrated into textile ZLD research or are primarily addressed in technology-focused studies. To examine this, a two-phase bibliometric framework is applied to map global textile ZLD research from 2000 to 2026 using publications retrieved from the Web of Science Core Collection and Scopus. Phase 1 assessed the full textile ZLD landscape ( n = 99 after screening) to identify dominant technological themes and the field’s intellectual structure. Phase 2 refined the dataset using economic, environmental, and energy-related terms ( n = 36 after screening) to test whether a sustainability-focused subset restructured the dataset. Keyword co-occurrence networks and thematic mapping show that textile ZLD research is consistently structured around membrane-based separation, desalination, dye removal, and water recovery. Sustainability concepts (e.g., economic analysis, energy use, and life-cycle assessment [LCA]) remain loosely connected and peripheral, highlighting a maturity gap between technological development and feasibility-driven evaluation. Based on these findings, a sustainability agenda is urgently needed, including: (i) standardized reporting of recovery and reclaimed-water quality; (ii) harmonized energy indicators (kWh·m ^–3 ) with clearly defined system boundaries; (iii) comparable CC/OC (capital/operating costs) reporting under consistent assumptions; and (iv) transparent LCA inputs and scenarios. These measures would strengthen benchmarking across studies and support more decision-oriented design and implementation of textile ZLD systems.

The efficacy of activated carbon derived from macadamia nuts (ACM) in removing paracetamol from aqueous solutions was evaluated. The adsorbent was characterized by Fourier transform infrared spectroscopy, point-of-zero-charge analysis, and thermogravimetric analysis/derivative thermogravimetry. Adsorption kinetics followed the pseudo-second-order model ( R ² = 0.990–0.992), indicating that the adsorption rate is governed by strong interaction-based mechanisms. Equilibrium isotherms indicated endothermic adsorption, with a maximum capacity of 76 mg/g. The Toth model provided the best fit to the equilibrium data ( R ² = 0.999), suggesting adsorption occurs on a heterogeneous surface. The adsorption mechanism likely involves π–π interactions and hydrogen bonding, with minimal electrostatic contributions at natural pH. ACM shows promise as a sustainable adsorbent for paracetamol removal; however, further research on regeneration, reusability, and life-cycle assessment is needed to confirm its sustainability.

This study assesses physicochemical treatment methods for industrial electroplating wastewater (EPW). Monitoring at a full-scale Tunisian facility revealed considerable instability in conventional systems. Residual nickel concentrations ranged from 0.02 ± 0.01 to 60 ± 0.4 mg/L. Chloride levels consistently exceeded regulatory thresholds, ranging from 442 ± 9–1418 ± 10 mg/L. Over 24 weeks, three treatment configurations were evaluated: ferric chloride-based coagulation (Configuration 1), polyaluminum chloride coagulation (Configuration 2), and lime slurry-based chemical attack (Configuration 3). Configuration 3 showed the most consistent performance. It achieved 99% chromium removal, 97% nickel removal, and 50% chloride reduction, while reducing chemical operating costs by 69% (0. 134 €· m ³ compared to 0. 432 €·m ⁻³ ). A novel optimization strategy is presented that explicitly incorporates variability in influent nickel concentration ([Ni]ᵢ, 33–92 mg/L) as an independent factor. This is applied within a Response Surface Methodology–Central Composite Design, alongside pH (6.3–9.7) and flocculant dosage (2.2–9.4 mg/L). Fluctuations in wastewater composition are treated as a controlled design variable rather than experimental noise. This approach produces a robust predictive model ([Ni] _f = f([Ni]ᵢ, pH, [A-PAM]) with high accuracy ( R ² = 0.9917). The resulting equation enables real- time adaptive chemical dosing. Operators can calculate optimal pH and flocculant requirements based on measured influent concentrations. Statistical analysis identified significant pH-metal loading interactions ( F = 5.70, p = 0.044). This confirms that optimal parameters systematically shift with influent composition. Under model-predicted conditions, residual nickel consistently remained below 2 mg/L, despite substantial influent variability. This ensures regulatory compliance. The integrated approach shows that variability- responsive optimization enhances treatment efficacy, operational stability, and economic efficiency.

This study presents a comprehensive simulation-based investigation of lead-free Rb ₂ CeCl ₆ perovskite solar cells (PSCs) using the DFT and SCAPS-1D framework. Structural analysis confirms the cubic stability of Rb ₂ CeCl ₆ with a suitable tolerance factor and a direct bandgap of 1.748[Formula: see text]eV, making it highly effective for visible-light absorption. Optical simulations reveal high absorption coefficients ([Formula: see text]59,000[Formula: see text]cm[Formula: see text]) and a favorable dielectric response, indicating strong photon-harvesting and exciton dissociation capabilities. Mechanical analysis demonstrates elastic stability, ductility, and low anisotropy, supporting its suitability for thin-film device fabrication. Photocatalytic assessment based on band-edge alignment reveals that the conduction band minimum ([Formula: see text]0.414[Formula: see text]eV) is sufficiently negative to drive hydrogen evolution and multiple CO ₂ reduction pathways, while the valence band maximum (0.838[Formula: see text]eV) supports oxidation reactions, confirming the material’s thermodynamic feasibility for solar-driven photocatalysis. Energy band alignment studies identify WS ₂ and TiO ₂ as optimal electron transport layers (ETLs), offering minimal interfacial recombination and improved charge extraction. Parametric analysis of absorber thickness, ETL thickness, doping concentration, and defect density reveals that optimal values significantly enhance PV performance, with a peak power conversion efficiency (PCE) of 20.94% achieved using WS ₂ as the ETL. The study further explores the impact of temperature, series and shunt resistance, and generation–recombination dynamics, highlighting that device performance is maximized around 300[Formula: see text]K with low recombination and minimal parasitic losses. Overall, the combined DFT and device-level results demonstrate that Rb ₂ CeCl ₆ is a promising eco-friendly material for next-generation energy applications, offering strong potential for both high-efficiency PV devices and solar-driven photocatalytic processes.

The current work provides the first‐principles exploration of the XFe ₃ H ₈ (X = Li, Na, K, and Rb) perovskite hydrides series. The negative formation energies confirm the thermodynamic stability of the entire XFe ₃ H ₈ series. Electronic band structures and density of states (DOS) analyses reveal the metallic nature of all compounds for both GGA and HSE06 functionals. The dynamic stability is confirmed by the positive phonon curves. Elastic constants satisfy Born stability criteria, with mechanical analysis indicating that all four hydrides show ductile behavior that suggest potential use of the compounds in flexible devices. The XFe ₃ H ₈ (X = Li, Na, K, and Rb) hydrides' exhibit gravimetric H ₂ storage capacities of 4.42, 4.06, 3.76, and 3.09 wt.%, respectively demonstrating that LiFe ₃ H ₈ provides the highest capacity and superior performance in the series. The resulting volumetric H ₂ storage capacities are 207.92, 187.98, 167.09, and 156.11 gH ₂ /L respectively for XFe ₃ H ₈ (X = Li, Na, K, and Rb) hydrides.

Precise wavelength stability and narrow spectral linewidths are essential for enhancing the performance of optical sensors in biomedical diagnostics and environmental gas detection. This work presents a detailed investigation of fiber Bragg gratings (FBGs) integrated within a dual-mode laser sensor system based on intra-cavity absorption spectroscopy. The Bragg wavelength stability was characterized over extended periods, demonstrating fluctuations of up to ±0.3[Formula: see text]nm without thermal insulation, which were significantly reduced to ±0.1[Formula: see text]nm with the implementation of styrofoam enclosures. Furthermore, the laser’s full width at half maximum (FWHM) was analyzed under varying injection currents, attaining a minimum linewidth of 0.06[Formula: see text]nm, thereby improving spectral selectivity. To the best of our knowledge, this is the first systematic investigation of long-term Bragg wavelength stability and FWHM behavior in a dual-mode intra-cavity absorption spectroscopy configuration, providing quantitative stability limits directly relevant to the design of highly selective gas sensors.

Advanced water purification with excellent efficiency has been a significant challenge for humanity, and LaFeO₃-based perovskite semiconductors have been the subject of extensive research in recent years as promising candidates for efficient photocatalysts due to their stable structure and modifiable optoelectronic properties. However, the photocatalytic efficiency of LaFeO₃ perovskites is limited by rapid charge recombination, poor charge transport, and limited visible-light harvesting, all of which can impede the generation of active species. In this study, A/B-site Nd/Mn co-doping, nanostructure modulation, and CNTs integration were effectively merged as a multi-level engineering method to improve the optical response, electronic conductivity, and active surface area of LaFeO₃. The optimized 3% co-doping and 15% CNT contents enabled the final synthesized composite to exhibit excellent light harvesting due to a lower band gap, higher surface area, higher transient photocurrent, lower PL emission intensity, and good electrical conductivity. All these integrated features enabled the Nd/Mn-doped LaFeO₃ perovskite-CNTs nanocomposite to show 95% degradation of Brilliant Blue dye (BBD, 15 mg L^-1) in 1.5 h with a pseudo-first-order rate constant of 0.032 min^-1-triple that of pristine LaFeO₃. Mechanism study showed that superoxide radicals (˙O₂ ^-), which were formed via both conduction-band electron transfer and CNT-induced charge transfer, were the major reactive species for BBD degradation. Structural stability and the composite's reusability (up to six cycles with ∼97% activity after the conclusion of six cycles) indicate the suitability of the presented composite as a successful catalyst material.

In this study, a comprehensive first-principles investigation based on Density Functional Theory (DFT) is performed to explore the structural, electronic, mechanical, vibrational, and optical properties of the lead-free perovskite Mg ₃ PCl ₃ . The optimized lattice parameter (a = 5.24 Å) shows good agreement with previously reported data. The calculated elastic constants satisfy the Born stability criteria, confirming the mechanical stability of the material, while phonon dispersion analysis reveals the absence of imaginary frequencies, indicating dynamical stability. Electronic band structure analysis demonstrates that Mg ₃ PCl ₃ is a direct bandgap semiconductor with a bandgap of 2.28 eV at the [ ]-point. Charge density analysis suggests predominantly ionic bonding characteristics. Furthermore, carrier transport analysis indicates relatively low effective masses and favorable electron mobility, which facilitate efficient charge transport and reduced recombination losses. Optical properties reveal a moderate static dielectric constant ([ ]) along with strong optical absorption in the visible region, highlighting its suitability for photovoltaic applications. Overall, these findings suggest that Mg ₃ PCl ₃ is a promising candidate for next-generation lead-free solar cells and optoelectronic devices.