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Regarding the presence of residual active drug compounds in the municipal effluents and the effluents of pharmaceutical factories, the removal of these compounds increases the resistance of microorganisms, and environmental hazards, such as genetic disorders in the aquatic reproduction and possible damage to human health is necessary. In recent years, using the Mixed-Matrix-Membranes (MMMs) for their high removal efficiency was considered. In the present study, polyether sulfone (PES) membranes, and composite membranes with MIL10-OH/Chitosan (CS), were synthesized and characterized. SEM analysis shows that with the addition of MOF modified with CS, the number and size of micropores and porosity increase compared to the PES membrane. By adding 0.05 wt % of MIL101-OH and MIL101-OH/CS to the PES membrane, the pure water flux increased from 5.1 kg/m2 h to 9.2 and 9.9 kg/m2 h. Increased porosity in the membranes led to a decrease in the resistance of flowing water, and ultimately increased the membrane's permeability. Increased membrane hydrophilicity, as well as membrane surface roughness, reduced membrane clogging. By adding MOF with CS to the PES membrane, the flux recovery ratio increased from 45 % to 95 % in terms of the increase of hydrophilic functional groups of membrane. Furthermore, reversible fouling increases and irreversible fouling in MMMs significantly decreased. Diclofenac sodium (DCF) was separated better than cefixime (CFX). Thus, the removal percentage for DCF was 95 % and for CFX drug is 90 %. By comparing the removal percentage, it can be seen that the performance of MMMs with MIL101-OH/CS was better than MMMs with MIL101-OH, and adding CS to MOF and PES membrane improved membrane performance to remove DCF and CFX. [ABSTRACT FROM AUTHOR]

Air pollution is known as one of the most important causes of death in the whole world. Therefore, pollution reduction to achieve clean air was noticed by everyone. This way, using nanotechnology to control air and monitor is a novel approach. This paper investigates the effect of the number of graphene nano-pores on the SiO 2 separation from the H 2 O vapour in the presence of an external electric field with the magnitude of 0.01 V/Å using the molecular dynamics (MD) method. The electric field affects the charged particles and causes disturbance in the structure. It also prevents SiO 2 nanoparticles from passing through the graphene nanosheet. Also, the presence of carbon nanosheets acts as a membrane and affects the diffusion of water in the nanostructure. So, the results show that in the presence of a nano-pore, the number of H 2 O molecules reaches to 496 and 568 in reservoirs 2 and 3. Also, the number of SiO 2 nanoparticles reaches 10 and 4 in reservoirs 2 and 3. This shows that in reservoirs 2 and 3, about 80% and 60% of the SiO 2 nanoparticles are separated. As mentioned before, the electric field prevents the passage of SiO 2 nanoparticles through the graphene nanosheet. As the number of graphene nano-pores increases by 2, 3, 4, and 5, the number of passing water molecules increases. Considering that the number of graphene nano-pores has increased and the movement path of particles has increased, the number of passing particles almost increases. However, the electric field prevents the passage of SiO 2 nanoparticles. According to the results, the suggested setup can be employed for designing highly efficient nanostructured membranes for air purification and monitoring. [Display omitted] [ABSTRACT FROM AUTHOR]

Today, as a result of the advancement of technology and increasing environmental problems, the need for clean energy has considerably increased. In this regard, hydrogen, which is a clean and sustainable energy carrier with high energy density, is among the well-regarded and effective means to deliver and store energy, and can also be used for environmental remediation purposes. Renewable hydrogen energy carriers can successfully substitute fossil fuels and decrease carbon dioxide (CO2) emissions and reduce the rate of global warming. Hydrogen generation from sustainable solar energy and water sources is an environmentally friendly resolution for growing global energy demands. Among various solar hydrogen production routes, semiconductor-based photocatalysis seems a promising scheme that is mainly performed using two kinds of homogeneous and heterogeneous methods, of which the latter is more advantageous. During semiconductor-based heterogeneous photocatalysis, a solid material is stimulated by exposure to light and generates an electron–hole pair that subsequently takes part in redox reactions leading to hydrogen production. This review paper tries to thoroughly introduce and discuss various semiconductor-based photocatalysis processes for environmental remediation with a specific focus on heterojunction semiconductors with the hope that it will pave the way for new designs with higher performance to protect the environment. [ABSTRACT FROM AUTHOR]

Often the choice of semiconductor material for light‐chemical energy conversion in solar cell technology is TiO2 polymorphs. However, quantum‐mechanical phenomena of electron self‐trapping (polaron) in these polar semiconductors present a challenge to optimize their performance for absorption of solar radiation. The electron trapped in the defect site of the lattice may suppress the recombination of charge carriers and improve the efficiency of light‐chemical energy conversion. Therefore, it is crucial to study polarons in transition metal oxides and semiconductors using first‐principles methods to elucidate the nature of charge carriers and trapping sites for ameliorating the performance of energy conversion. In this work, a comprehensive review is presented using selected literature of polaron studies in TiO2 from first‐principles methods. Overview of the Landau–Pekar model to the recent development of ab initio theory of polaron is presented. The popular DFT+U approach and hybrid functional method are discussed to show the general way of studying polaron using ab initio methods. Introduction of electron‐phonon interaction and the ab initio theory of polaron are briefly presented Therefore, this review presents the development of first‐principles methods from Landau theory to the state‐of‐the‐art to study polarons using TiO2 as the toy model. Finally, conclusions and future perspectives are outlined. [ABSTRACT FROM AUTHOR]

Developing interfacial connections is one of the breakthrough strategies to improve the photocatalytic activity. Herein, ZnBi 2 O 4 nanoparticles-ZnO nanorods heterojunction was successfully synthesized and used, as a dual-function photocatalyst, for photocatalytic degradation of Bisphenol A and hydrogen production with improved photocatalytic activity under simulated sunlight irradiation. The highest H 2 production (3.44 mmol g−1 h−1) was obtained for ZnO-20 wt% ZnBi 2 O 4 sample, which is around 12.7 times higher than pure ZnO. According to the HRTEM result, the intimate interfacial connections are formed between ZnO and ZnBi 2 O 4 which could act as trapping centers for charge carriers and results in the boosted photocatalytic activity. Further, a high aspect ratio of 1D ZnO nanorods and small size of 0D ZnBi 2 O 4 nanoparticles (~10 nm) increases the number of interfacial contacts and thus the charge carriers' recombination was suppressed more efficiently. Based on the trapping experiments, ESR and Mott-Schottky analysis, ZnBi 2 O 4 –ZnO hybrid photocatalyst followed the S -scheme charge transfer mechanism. • Novel 0D/1D ZnBi 2 O 4 /ZnO p-n heterojunction was successfully prepared. • The prepared hybrid system revealed improved H 2 production and BPA decomposition. • The highest hydrogen evolution (3.44 mmol.g−1.h−1) was achieved on ZnO–20%ZnBi 2 O 4. • S -scheme mechanism was suggested for boosted photocatalytic activity. • The defects formed at the interfacial contacts decreased the recombination rate. [ABSTRACT FROM AUTHOR]

In this study, the MGO@SnO as a new nanocatalyst with diverse chemical/physical properties was generated by the combination of graphene oxide covered with magnetic iron oxide (MGO) and tin oxide (SnO(x)) nanoparticles used for biodiesel production from soybean oil. Before GC-FID analysis, the nanostructured MGO@SnO was successfully employed to transesterify soybean oil to FAMEs (biodiesel). The proposed material was characterized using Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectrometer (EDX), X-ray diffraction (XRD), and vibrating sample magnetometer (VSM). Given the acidic-alkaline nature of the proposed catalyst, it has a strong probability of creating carbocation ions to attack with methanol and subsequently converting the triglycerides to methyl ester (FAMEs). In further experiments, it was found that the ideal reaction parameters were a ratio of MGO to SnO of 1:0.5, a molar ratio of soybean oil to methanol (MeOH) of 1:10, a reaction period of 180 min, and a reaction temperature of 120 °C. Furthermore, the MGO@SnO catalyst demonstrated adequate catalytic performance (>88 %) for transforming the triglycerides of soybean oil to FAMEs (biodiesel) as compared to pure SnO NPs (74 %) and plain MGO (69 %) at similar conditions. [ABSTRACT FROM AUTHOR]

[Display omitted] • A novel Zeolite/ZIF-8 composite was synthesized by Sonocrystallization method. • The adsorption capacity of the composite ZIF-8/Zeolite was 131 mg/g, respectively. • Investigation of effect of pH and electrostatic interaction mechanism on the Zeolite/ZIF-8 composite. • The adsorbent reaches equilibrium in 60 min at pH = 8. • The recovery of adsorbent show that the removal efficiency was 85%. Water pollution management, reduction, and elimination are critical challenges of the current era that threaten millions of lives. By spreading the coronavirus in December 2019, the use of antibiotics, such as azithromycin increased. This drug was not metabolized, and entered the surface waters. ZIF-8/Zeolit composite was made by the sonochemical method. Furthermore, the effect of pH, the regeneration of adsorbents, kinetics, isotherms, and thermodynamics were attended. The adsorption capacity of zeolite, ZIF-8, and the composite ZIF-8/Zeolite were 22.37, 235.3, and 131 mg/g, respectively. The adsorbent reaches the equilibrium in 60 min, and at pH = 8. The adsorption process was spontaneous, endothermic associated with increased entropy. The results of the experiment were analyzed using Langmuir isotherms and pseudo-second order kinetic models with a R2 of 0.99, and successfully removing the composite by 85% in 10 cycles. It indicated that the maximum amount of drug could be removed with a small amount of composite. [ABSTRACT FROM AUTHOR]

• V-doped Ni-Mo-P nanostructure was fabricated using electrochemical deposition. • Fabricated electrode exhibited outstanding electrocatalytic HER and OER activity. • Synergistic effect and high surface area was main reason for excellent performance. • Deposited electrode represented outstanding electrocatalytic durability. The emergence and fabrication of cost-effective and active electrodes in the overall water splitting process are one of the most critical challenges for hydrogen production. Here, firstly Ni-P electrodes were generated at different scan rates using the electrochemical deposition method, and then molybdenum was doped in Ni-P structure using the same method and vanadium using hydrothermal deposition method, and V-doped Ni-Mo-P electrode was generated. It was revealed that the synthesized electrode displays outstanding electrochemical properties for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). For reaching a current density of 10 mA cm −2, the optimum sample needed only 65 mV in the HER process and only 261 mV of overpotential in the OER process. In addition, the electrocatalytic stability investigation disclosed that this electrode had excellent durability at the 100 mA cm −2 in HER and OER process after 10 h of electrolysis in which only less than 2 % increase in overpotential was observed, which indicates excellent electrocatalytic stability. Such outstanding electrocatalytic properties were mainly because of increasing the active surface area and the synergistic effect due to doping of molybdenum and vanadium in the electrode structure. [ABSTRACT FROM AUTHOR]

• Novel binary functional catalyst developed based on amine and metal oxide. • Polyaniline supported Cobalt oxide catalyst used for biodiesel production. • The catalyst converted triglyceride via proposed acid base mechanism. • The catalyst provided appropriate FAMEs yield >90 %. The development of novel heterogeneous catalyst materials with unique chemical/physical properties has attracted great attention in biodiesel production. Herein, the binary functional organic–inorganic nanocomposite based on polyaniline decorated with magnetic iron oxide and cobalt oxide nanoparticles were used to synthesis MPANI@Co 3 O 4 as novel nanocatalyst. The proposed material was fabricated through a facile hydrothermal technique coupled with a one-pot polymerization method. The morphology and structure of as-prepared MPANI@Co 3 O 4 materials were evaluated using field-emission scanning electron microscope (FESEM), Fourier transform infrared spectroscopy (FTIR), vibrating-sample magnetometer (VSM), and energy dispersive X-Ray spectrometer (EDX). The FESEM-EDX provided the metal oxide nanoparticles well incorporated onto polyaniline with C (28.32 %), N (48.45 %), O (21.44 %), Fe (1.69 %), and Co (1.10 %). The MPANI@Co 3 O 4 was successfully used as a high-performance nanocatalyst in transesterification of waste cooking oil (WCO) to FAMEs (biodiesel). Due to the acidic-alkaline nature of the proposed catalyst, it has high potential to produce methoxy ions followed by attacking the carbonyl groups of triglycerides. In further experiments, the satisfactory reaction conditions obtained were MPANI to Co 3 O 4 ratio of 1:1, WCO to methanol molar ratio of 1:10, 240 min reaction time and at 90 °C reaction temperature. Moreover, under optimum conditions, the catalyst offered desirable catalytic performance (>93%) to catalyze the triglycerides of WCO to biodiesel (FAMEs). Therefore, the novel binary organic–inorganic nanocomposite can be used as co-catalyst material in biodiesel processing. [ABSTRACT FROM AUTHOR]

The sustainable process and direct synthesis of 5-hydroxymethylfurfural (5-HMF), a valuable renewable biofuel and biochemical, was systematically studied using inexpensive catalysts and recyclable magnetic nanocatalysts. Fe 3 O 4 @SBA-16-SO 3 H was obtained by the synthesis of SBA-16 and was modified by MPTES and H 2 O 2. After that, Fe 3 O 4 was synthesized via chemical precipitation and mixed with SBA-16-SO 3 H for easy separation and recovery (using five cycles of catalysts with excellent yield for the synthesis of 5-HMF) and a new magnetic heterogeneous catalyst for the synthesis of 5-HMF that was found to have 95% glucose and fructose conversion and 97% yield of 5-HMF, respectively. The prepared catalyst was characterized by FT-IR, EDAX, XRD, FE-SEM, TEM, VSM, BET, and TGA techniques. The experiments were carried out with good yields and implied that the catalytic method was effective, convenient, and promising for the synthesis of 5-HMF. The present study opens a new avenue for the renewable one-pot synthesis of 5-HMF, a precious product. The efficient conversion of biomass into value-added compounds under mild and safer conditions is a cornerstone of our current research efforts to meet the needs of the chemical industry with sustainable development. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Ag/Cu functionalized with poly citric acid was synthesized by chemical method. • The probe was used to detection of cysteine in Mg2+ presence. • The DNA template was used to Ag/Cu/PCA for detection of S. pneumoniae. • The cysteine and S. pneumoniae detection were conducted from real samples with the fabricated probe. In this project, poly (citric acid) (PCA) functionalized on nano Ag/Cu was synthesized by chemical analysis method. The nano probe was applied to detection of cysteine by using the magnesium (II) ions as a cross linker. The characterization of Ag/Cu/PCA nano probe was studied by using the UV–visible, morphological microscopy, dynamic light scattering, and zeta potential analyzer. The zeta potential and size of Ag/Cu/PCA were −38.0 mV and 18.0 nm, respectively. The prepared nano probe shows rapid response for detection of cysteine. The detection limit of Ag/Cu/PCA nano probe was 0.07 nM. Additional, the Ag/Cu/PCA nanoparticles was applied to cysteine detection from real samples in the presence of amino acids compounds. Rapidly and sensitive determination of Streptococcus pneumoniae is substantial for food safety and human health. The DNA-Ag/Cu/PCA were prepared as a template in chemical method and experimented as a bio-receptor for the cell bacteria detection as peroxidase-like catalytic process. The DNA-Ag/Cu/PCA nano probe shows a linear dynamic concertation range of Streptococcus pneumoniae via detection limit about 65 CFU/mL. The project presents that the DNA-Ag/Cu/PCA could detect the biological and bacterial samples via high accuracy. [ABSTRACT FROM AUTHOR]

Ag doped Sn 3 O 4 Nanostructure and immobilized on hyperbranched polypyrrole is investigated in this project. The product was synthesized by the hydrothermal synthesis method. The surface and structural characteristics of the product was studied by different instrumental analysis. The fabricated nanocomposites was utilized as a nano photocatalyst in the removal of methylene blue dye. The crystallography results depicts the triclinic phase of Sn 3 O 4 with the crystallite size 36.3 nm. The band gap of the Ag-Sn 3 O 4 /hyperbranched polypyrrole was found 1.50 eV from kubelka-munk measurements. The specific surface area was increased in the presence of the hyperbranched polypyrrole as compared to Ag-Sn 3 O 4 samples. The photo-catalytic activity of composites was found 100.0% degradation of CR in 30 min under visible light irradiation. The catalytic kinetic was followed from the first kinetic model. Moreover, the Ag/Sn 3 O 4 /hyperbranched polypyrrole was applied as a bactericidal agent against Streptococcus pneumoniae , and Pseudomonas aeruginosa bacteria. Determination of Streptococcus pyogenes as a pathogenic bacteria was investigated by using aptamer/Ag/Sn 3 O 4 /hyperbranched polypyrrole in peroxidase activity. The detection limit of S. pyogenes was 71.0 CFU/mL by using the nano-aptamer. • Ag/Sn 3 O 4 /HPPy prepared by chemical method. • The Ag/Sn 3 O 4 /HPPy was studied for degradation of CR dye under visible light. • The Ag/Sn 3 O 4 /HPPy showed excellent anti-bacterial activity. • The bacterial detection was conducted by using the aptamer-Ag/Sn 3 O 4 /HPPy. [ABSTRACT FROM AUTHOR]

Ti-XAl-2Fe-3Cu (X = 2.7, 4 wt%) alloys with a high tensile yield strength of up to 1150 MPa were synthesized using powder compact extrusion from blended TiH 2 and elemental powders. The microstructures and mechanical properties of the extruded rods without and with a homogenization heat treatment at 1000 °C for 1 h followed by furnace cooling were investigated. It was found that the Al content and heat treatment had significant effects on the microstructures and mechanical properties. With increasing the Al content from 2.7 to 4 wt%, the average lamellar colony size and lamellar thickness of the as-extruded Ti-XAl-2Fe-3Cu alloy decreased from 442.4 to 224.1 µm and 6.7–5.2 µm respectively. The heat treatment increased the lamellar thickness as well as the level of partitioning of Fe and Cu between α and β phases. As a result of the microstructural changes, increasing Al from 2.7 to 4 wt% caused a slight increase in the strength of Ti-XAl-2Fe-3Cu alloys without changing the ductility, while the heat treatment slightly reduced the strength of the alloys, but clearly increased their tensile ductility. The correlation between microstructures and mechanical properties is discussed. [ABSTRACT FROM AUTHOR]

[Display omitted] • Novel visible driven WO 3 -CeO 2 heterojunction was successfully synthesized. • The prepared photocatalyst was applied for degradation of Sulfamerazine from an aqueous solution. • Incorporation of CeO 2 on WO 3 significantly enhanced the photodegradation percentage. • S-scheme mechanism was suggested for the boosted photocatalytic activity. • Photodegradation pathways of Sulfamerazine antibiotic were investigated. In this work, hierarchical WO 3 -CeO 2 hollow sphere heterojunctions were fabricated via a two-step hydrothermal method and applied for degradation of sulfamerazine antibiotic under visible light irradiation. The incorporation of CeO 2 into the WO 3 microspheres was confirmed by XRD, BET, HRTEM, and XPS analysis. The results revealed that the photocatalytic activity of WO 3 -CeO 2 heterojunction was greatly enhanced compared to pure CeO 2 and WO 3 samples, and the highest degradation percentage of sulfamerazine was achieved on the WO 3 -CeO 2 heterojunction with 30 mol. % CeO 2 content. This could be ascribed to the efficient separation of charge carriers which was facilitated by oxygen vacancies formed at the interfaces of two coupled semiconductors. EIS analysis verified that the charge transfer resistance of WO 3 -30CeO 2 heterojunction was decreased, which is due to the heterojunction effect. Moreover, based on the Mott-Schottky calculations, radical trapping experiments and ESR analysis, hydroxide radicals were identified as the main active species, and an S-scheme charge transfer mechanism was suggested to explain the enhanced photocatalytic activity. The possible degradation pathway of sulfamerazine was suggested through the detection of degradation intermediates by mass spectroscopy. [ABSTRACT FROM AUTHOR]

• Novel Bi 2 WO 6 -ZnBi 2 O 4 heterojunction was prepared by sonochemical assisted hydrothermal method. • Sonochemical pretreatment caused spherical to flake-like morphology evolution. • The optimal Bi 2 WO 6 -20ZnBi 2 O 4 revealed good stability (4% loss) after 5 cycling runs. • Direct Z-scheme mechanism was proposed for the enhanced photodegradation of MG. • Bi 2 WO 6 -ZnBi 2 O 4 can efficiently remove both MG dye and colorless 2,4-DCP contaminants. In this work, novel Bi 2 WO 6 -ZnBi 2 O 4 p-n heterojunction was successfully synthesized through combination of sonochemical and hydrothermal procedures. The results revealed that the sonochemically prepared nanocomposites had spherical shape with amorphous structure which became crystalline particles with flak-like morphology after hydrothermal treatment. Bi 2 WO 6 -ZnBi 2 O 4 nanocomposite with 20 wt% ZnBi 2 O 4 content demonstrated the highest photocatalytic performance compared to the pure Bi 2 WO 6 and ZnBi 2 O 4 samples toward the degradation of Malachite Green (MG). This finding is associated with the efficient separation of photo-generated electron/hole pairs due to the formation of interfacial charge transfer between Bi 2 WO 6 and ZnBi 2 O 4. However, further ZnBi 2 O 4 loading had no significant effect on the enhancement of photocatalytic activity of nanocomposite samples owing to the shielding effect of ZnBi 2 O 4 against incident light. The obtained results were further verified by optical and photocurrent density measurements. Based on the obtained results from active species trapping experiments, electron spin resonance and Mott-Schottky calculations, the Z-scheme charge transfer pathway was proposed as the predominant mechanism for the photocatalytic reactions. Also, the photocatalytic degradation of 2,4-dichlorophenol, as a colorless model pollutant, was conducted on optimal composite sample to study the possible contribution of MG dye sensitization mechanism in the enhancement of photocatalytic efficiency. [ABSTRACT FROM AUTHOR]

• Au/Ce/SnS 2 /HPEI nanocomposite was obtained via a wet/hydrothermal method. • Au/Ce/SnS 2 /HPEI had high activity and good stability in photocatalytic process. • Investigation of synergistic effects of catalyst for H 2 production processes. • The prepared Au/Ce/SnS 2 /HPEI displayed excellent antifungal activity. In this project, the Au and Ce co-doped SnS 2 decoration on hyperbranched polyethyleneimine (Au/Ce/SnS 2 /HPEI) nanocomposites were prepared via wet/hydrothermal chemical method. Compared with pure SnS 2 and co doped SnS 2 , Au/Ce/SnS 2 /HPEI nanocomposite indicated higher photo-degradation performance for the reduction of chromium (VI) under visible light irradiation. Therewith, Au/Ce/SnS 2 /HPEI nanocomposites was applied for photo-degradation of drug. The possible mechanism shows the superoxide anion radical (O 2 −) plays important role in in the removal of Cr(VI). The Au/Ce/SnS 2 /HPEI nanocomposites shows the best photocatalysis activity for water reduction. The prepared Au/Ce/SnS 2 /HPEI displayed excellent antifungal activity against Aspergillus niger and Candida albicans fungi. [ABSTRACT FROM AUTHOR]

[Display omitted] • Sn decorated Fe NPs was functionalized with leucine by chemical reduction technique. • The bimetallic Sn decorated Fe NPs was used for detection of trivalent chromium. • The Sn-Fe NPs catalyst was used to degradation of methyl orange. • The particles exhibited excellent antibacterial activities. In this project, Sn-Fe bimetallic nanoparticles were prepared by a facile method. The bimetallic nanoparticles of it could be well established by a field emission scanning electron microscope micrographs. Due to the excellent synergistic influence between Sn-Fe nanoparticles and leucine indicated a great performance for determination of Cr3+. The material was characterized using the XRD, DLS, and zetasizer for the evaluation of crystal structure and morphology information. The potential and effective size of Sn-Fe NPs was −29.10 mV and 30 nm, respectively. Cr3+ ions interaction with the Sn-Fe NPs-leucine probe was carried out in 1 min as response time. The limit of detection of Sn-Fe NPs for Cr(III) colorimetric method was 0.25 nM. The prepared nanoparticles showed impressive photocatalysis efficiency for degradation of MO was about 95.1% in 35 min, thus the prepared nanoparticles may be developed for the detoxification of pollution. The prepared nanoparticles depicted effective antibacterial activity against C. botulinum and, H. pylori bacteria. [ABSTRACT FROM AUTHOR]

• Alloying and Iridium surface segregation influence surface strain and achieve dissociative adsorption of hydrogen on all the catalysts. • Iridium segregation on the surface of IrRu 3 core-shell catalyst downshift the d-band and improve the hydrogen oxidation due to surface charge redistribution. • Core-shell type catalyst with higher Ru content notably enhances HOR performance. • Iridium surface segregation should take into account in Ir-Ru catalyst. The catalysis of hydrogen oxidation reaction (HOR) at the anode is one of the most important topics in achieving high-performance proton exchange membrane fuel cells, especially in the presence of hydrogen fuel impurities and during the start-up/shutdown cycling and cell reversal. To improve catalytic HOR performance, Iridium-Ruthenium alloy (IrRu) catalysts have been explored to address the issues. For fundamental understanding of the catalytic HOR activities, this paper employs density functional theory (DFT) calculations to elucidate and interpret the surface modifications and Ru content effect on hydrogen adsorption energy of the IrRu alloys. The catalytic HOR activity trend of the alloyed IrRu catalysts is calculated to be Ir 3 Ru > IrRu > IrRu 3 , which is opposite to that experimentally observed. However, if the surface enrichment of Ir atoms on the IrRu surfaces to form core-shell type catalysts, the calculated trend becomes to IrRu 3 > IrRu > Ir 3 Ru, which is in agreement with the experiment result. In spite of higher surface energy on IrRu 3 core-shell surface, the compelling d-band downshift can attribute to the surface charge depletion, decreasing hydrogen adsorption energy, and resulting in the highest catalytic activity. For Ir 3 Ru core-shell catalyst, a relatively higher charge accumulation on the surface Ir is observed, which can up-shift the d-band and increase hydrogen adsorption, resulting the lowest catalytic activity. The IrRu catalyst has intermediate d-band downshift and hydrogen adsorption energy so that its catalytic activity remains between IrRu 3 and Ir 3 Ru for both alloyed and core-shell structures. [ABSTRACT FROM AUTHOR]

Over the past years, metal-organic frameworks (MOF) have been directly used as electrodes or as a precursor for MOF-derived materials in energy storage and conversion systems. In the wide range of existing MOF derivatives, MOF-derived layered double hydroxides (LDHs) are determined to be promising materials due to their unique structure and features. However, MOF-derived LDHs (MDL) materials can suffer from insufficient intrinsic conductivity and agglomeration during formation. Various techniques and approaches were designed and applied to tackle these problems, such as using ternary LDHs, ion-doping, sulphurization, phosphorylation, selenization, direct growth, and conductive substrates. All the mentioned enhancement techniques aim to create the ideal electrode materials with maximum performance. In this review, we gathered and discussed the most recent progressive advances, different synthesis methodologies, unsolved challenges, applications, and electrochemical and electrocatalytic performance of MDL materials. We hope this work will be a reliable source for future progress and synthesis of these materials. [Display omitted] • This review summarized different synthesis strategies of MOF-derived LDHs. • We also categorized applications of MOF-derived LDHs in electrochemical energy storage/conversion techniques. • MOF-derived LDHs on a conductive substrate can boost the electrochemical activities, as well as other post-synthesis treatments. [ABSTRACT FROM AUTHOR]

• Glycerol-assisted self-template approach was utilized to prepare pyrite-phase of high-entropy transition-metal sulfides (CoFeNiMnCu)S 2 nanoparticles. • The (CoFeNiMnCu)S 2 nanoparticles exhibited a low overpotential of 284 mV with a low Tafel slope of 57 mV/dec in a 1.0 M KOH solution. • The superb electrochemical activity of quinary (CoFeNiMnCu)S 2 was preserved over 8 h OER reaction and long-term potential-cycling after 1000 CV cycles. • The electrocatalytic behavior of various samples toward OER pertinent to their specific electronic features and multi-metallic interaction were comprehensively discussed. Developing extremely efficient electrocatalysts for oxygen evolution reactions (OER) is a decisive step toward the progression of rechargeable metal-oxygen batteries, CO 2 reduction, and water-splitting. Nanoporous high-entropy transition-metal sulfides (np-HETMS) represent a new generation of promising OER catalysts by virtue of their exceptional catalytic activity. However, their synthesis maintains to be a challenge by reason of the thermodynamic immiscibility of the constituting multi-principal metallic elements in the sulfide structure. Herein, for the first time, the np-HETMS ((CoFeNiMnCu)S 2) nanoparticles with pyrite-phase was synthesized via a facile and easy adaptable glycerol-assisted self-template approach to resolve the immiscibility of multi-metallic constituents. The coordination of metal ions with polyalcohol in metal glycerate, as an intermediate template, is beneficial for achieving atomic blending of multiple metal ions in sulfides structure at HETMSs during the synthesis procedure. In reliance on the electronic and physicochemical traits, the electronic configuration of as-synthesized (CoFeNiMnCu)S 2 was elucidated by virtue of the comparison with its quaternary, ternary, and binary subsystems. The superior performance of np-HETMS (CoFeNiMnCu)S 2 nanoparticles, corresponding subsystems, and commercial RuO 2 catalyst are accentuated by integrating into a three-electrode configuration for OER reaction. The (CoFeNiMnCu)S 2 nanoparticles exhibited a trivial overpotential of 284 mV when the current density reached 10 mA/cm2 with a low Tafel slope of 57 mV/dec in a 1.0 M KOH solution. Besides providing a novel and highly active high-entropy-based electrocatalyst, this work inaugurates a new synthesis paradigm toward high-entropy metal alloys for extremely efficient electrocatalysis applications. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Visible light-assisted CO 2 -PR) studied by (CoFeNiMnCu)S 2 embedded in ultrathin g-C 3 N 4. • An excellent activity toward generation of CH 4 and CO was attained by CO 2 -PR). • Composite showed a long-term reusability during photocatalytic reduction of CO 2. • The mechanism of CO 2 -PR) over (CoFeNiMnCu)S 2 /ultrathin g-C 3 N 4 was studied in detail. Sustainability is a key issue in developing stable and efficient catalysts for solar-catalyzed CO 2 conversion. The concept of structural stabilization by quenching the Gibbs free energy, which is achieved by increasing the configurational entropy level of the system, introduced high-entropy materials. However, because alloying immiscible multimetallic atoms into a unit system is still an arduous process, the potential of high-entropy materials has not yet been fully exploited. Surprisingly, although metal sulfide photocatalysts have an enviable reputation for CO 2 photoreduction (CO 2 -PR) owing to their optical/electronic merits and more negative redox potential than other materials, the capability of high-entropy metal sulfides has been completely disregarded. Herein, an adaptable, self-templating metal alkoxide appropriately addresses the immiscibility of metallic constituents by the well-blended metal ions with polyalcohol in the metal glycerate. Consequently, (CoFeNiMnCu)S 2 high-entropy metal sulfide nanoparticles (HEMS-Nps) were grown in situ on crossed ultrathin g-C 3 N 4 (UCN) monolayers during the sulfidation of the metal glycerate. The as-synthesized HEMS-Np has a crystalline–amorphous structure, which is conducive to the acceleration of charge transfer to/from reaction sites, and a convincing orientation for CO 2 adsorption. These features are combined with synergistic electronic multimetallic interactions, facilitating a heterogeneous valence electron distribution and atomic disorder. The CO 2 -PR power of the (CoFeNiMnCu)S 2 @UCN nanostructure was noticeable in realizing added-value products in both the liquid–solid (1063 µmol/g h of syngas and 250 µmol/g h of methane) and gas–solid phases (1883 µmol/cm2 h of syngas and 321 µmol/cm2 h of methane). To prove its utility, long-term and corresponding time-equivalent cycling experiments were conducted, demonstrating a highly stable system that endured for a long time. Overall, this approach simultaneously exploits the advantages of sulfide-based materials and high-entropy materials in stable structures to generate sustainable CO 2 -PR materials. [ABSTRACT FROM AUTHOR]

[Display omitted] • UVC/persulfate activation was enhanced by coupling with SCF@GCN composite. • Complete elimination of BPA was achieved in 15 min with k obs = 0.32 min−1. • Both radical and non-radical mechanisms were involved during the degradation process. • Transfer pathway of photo-induced e-/h+ followed the direct S-scheme mechanism. • An excellent synergistic effect was obtained for SCF@GCN/PS/UVC hybrid system. This study was designed to enhance wastewater treatment by the UVC/persulfate process via its coupling with spinel cobalt ferrite (SCF) nanoparticles anchoring graphitic carbon nitride (g-C 3 N 4 , GCN). The performance of SCF@GCN was assessed against bisphenol A (BPA) degradation as a model recalcitrant contaminant. Characterization tests confirmed the successful preparation of SCF@GCN with high photocatalytic activity and excellent capability in PS activation compared to plain SCF or pristine GCN. The results strongly pointed out that SCF@GCN combined with UVC and PS is capable to rapidly degrade BPA with a remarkable synergistic effect. Under optimum conditions (pH: 9.0, SCF@GCN: 0.3 g/L and PS: 4.0 mM), complete elimination of BPA (40 mg/L) was achieved in 15 min with excellent degradation kinetics (0.32 min−1). Scavenging experiments ascertained the generation of h+, 1O 2 , O 2 •− , SO 4 •−, HO• species in SCF@GCN/PS/UVC system, indicating that both radical and non-radical mechanisms were involved during the degradation process. Furthermore, the developed process displayed a satisfactory performance for effective treating BPA-contaminated wastewater samples. Over 95% BPA was removed by the system after five catalyst reuse cycles, suggesting a cost-effectiveness potential in the reusability of SCF@GCN. A comprehensive mechanistic pathway for BPA degradation was proposed based on the reactive species and intermediates identified: A S-scheme heterojunction mechanism of photo-generated electron/hole pairs transfer in the SCF@GCN catalyst was found. Overall, our results present a promising technique with synergistic character for intensification of wastewater treatment. [ABSTRACT FROM AUTHOR]

• H 2 production via water splitting by CuO and ZnO graphene matrix. • 10 wt% graphene CuO and ZnO showed the highest H 2 production of 37.2 mmol/g.h. • H 2 production for 10 % graphene loaded binary composite showed 48.6 mmol/g.h. • H 2 production mechanism was explained by using properties and S-scheme. This work reports on photocatalytic hydrogen (H 2) production via water splitting by synthesizing CuO and ZnO semiconductors anchored onto graphene by varying the mass ratios of CuO and ZnO into the graphene matrix. The high H 2 production performance for binary nanocomposite (CuO/ZnO) compared to its components confirms the synergistic effect between ZnO and CuO nanoparticles. Introducing 10 wt% graphene into CuO and ZnO displayed the highest H 2 production reaching to 37.2 mmol/g.h, which was 3.29 times higher than pristine binary nanocomposite (CuO/ZnO). The graphene played a critical role in enhancing the photocatalytic activity of CuO and ZnO towards H 2 production, owing to the accelerated transport of photo-excited electrons between the semiconductors. Under the optimum conditions, H 2 production by 10 % of graphene into CuO and ZnO reached a maximum value of 48.6 mmol/g.h when Na 2 S/Na 2 SO 3 was used as a sacrificial agent. The charge transfer carriers were monitored to explain the photocatalytic H 2 production mechanism based on the optical property characterizations and S-scheme heterojunction system. An excellent reusability was achieved after five consecutive cycles of H 2 production reaction. The outcome of this research introduces a reusable and effective catalyst with a facile and easy configuration for energy production applications and confirms that the decoration of semiconductors on graphene could be a promising strategy for highly-efficient photocatalytic H 2 production. Furthermore, by offering a clean alternative to fossil fuels and reducing greenhouse gas emissions—especially when produced from renewable sources—hydrogen can significantly contribute to achieving sustainable development goal 7 (SDG 7), thus advancing toward a more sustainable, equitable future. [ABSTRACT FROM AUTHOR]

• The Ti-2.7Al-2Fe-3Cu alloy depicts a full α/β lamellar structure, while the Ti-4Al-2Fe-3Cu alloy depicts an α/β lamellar structure together with continuous grain boundary α layers. Since Al is an α phase stabilizer, increasing Al content increases the amount of α phase in Ti-XAl-2Fe-3Cu alloys. • Increasing the Al content in Ti-XAl-2Fe-3Cu alloy from 2.7 to 4wt% increases the hardness, compressive strength and biocorrosion resistance of the alloy. • Ti-XAl-2Fe-3Cu alloys show a significantly higher polarization resistance and double layer capacitance because of the enveloping effect owing to the existence of a compact oxide layer. Ti-XAl-2Fe-3Cu (wt%) (X = 2.7,4) alloys were fabricated by extrusion of compacts of TiH 2 /Al/Fe/Cu powder blends. The microstructure and compressive and biocorrosion properties of the as-extruded rods were studied and compared to those of commercial pure (CP) Ti fabricated by extrusion of a TiH 2 powder compact under the same condition. The results show that the Ti-XAl-2Fe-3Cu alloy samples exhibit a significantly higher hardness and compressive yield strength than the CP Ti sample, and with increasing the Al content from 2.7 to 4 wt%, the compressive yield strength of the alloy increases from 1315 to 1422 MPa. The Ti-XAl-2Fe-3Cu alloy samples possess a better biocorrosion resistance than CP Ti, and the polarization resistance of the alloy increases with increasing Al content due to the reduced diffusion rate of corrosive ions through the surface oxide layers. Furthermore, with increasing the immersion time, the polarization resistance increases, and the double layer capacitance decreases. Overall the alloys show significantly better compressive strength and biocorrosion resistance than CP Ti, suggesting that they are more favorable than CP Ti for biomedical applications. [ABSTRACT FROM AUTHOR]

[Display omitted] • CuCo 2 S 4 was successfully embedded with S-scheme V 2 O 5 deposited on wrinkled g-C 3 N 4 lamella. • The ternary nanostructure demonstrated ultramost photocatalytic efficiency toward levofloxacin decomposition (98%). • Long-term reaction toward completed levofloxacin mineralization displayed the inconsequential quantity of released elements. • Consecutive cycling experiment suggested superb stability of nanocomposite. • Charge-flow relocation through the construction of interfacial electronic field was discussed. The influential light-harvesting and tremendous reduction capability along with the potentiality (photo)electrochemical merits of the thiospinels like CuCo 2 S 4 (CCS), appreciably bring forth an advancement in efficacious photocatalytic reactions. However, scant oxidation potential originated from 3p orbitals of sulfur atoms puts a damper on their performance and even is conducive to self-oxidation. In this research, the surfactant/template free of hierarchical yolk-shell-structured CCS thiospinels was synthesized using solvothermal sulfidation of the affordable glycerate-based CuCo-alkoxide. The as-synthezied CCS was successfully embedded with S-scheme V 2 O 5 deposited on wrinkled g-C 3 N 4 lamella (VO-WCN) in the interest of developing superior active ternary VO-WCN@CCS nanophotocatalyst for detoxification of levofloxacin (LF). The exceptional physicochemical properties of as-constructed samples were scrutinized via diverse characterization methods. After the optimization of CCS loading (30 wt%) and operational parameters, the VO-WCN@CCS(30) demonstrated ultramost photocatalytic efficiency toward LF decomposition (98 %) within 120 min reaction, which was 7.2, 9.9, and 19.1-fold greater than the pristine VO, WCN, and CCS, respectively. In the matter of catalyst reusability, the VO-WCN@CCS(30) could retain 88 % of initial performance after six consecutive disintegration cycles with negligible leached metals, and no evidence of variation was observed in the authenticated crystal structure. After thoroughly mineralization of the LF under ternary VO-WCN@CCS(30) nanocomposite for a duration of 300 min, ICP analysis exhibited the inconsequential amount of leached metals in the interest of catalyst stability. Encompassing the yolk-shell-structured CCS spheres into the superb stabilized heterogeneous VO-WCN prevails against self-oxidation and harsh surrounding conditions. The combination of the light-harvesting and modulated electronic traits of the yolk-shell configuration of CCS with the S-scheme VO-WCN system, this study shed light on a new generation of efficacious sulfide-based nanocomposites for the photo-decontamination of non-biodegradable pollutants. [ABSTRACT FROM AUTHOR]