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CONTEXT: The aim of this work is to use first principles calculations to examine the effects of different mechanical strains on the optoelectronic and photocatalytic capabilities of the 2D/2D nanoheterostructure of AlN/GaN. By utilizing the lmBJ (Meta-GGA) and PBEsol (GGA) functional, the bandgap of the nanoheterostructure is calculated and found to be 4.89 eV and 3.24 eV. Simulated 2D AlN/GaN nanoheterostructure exhibits exceptional optical and electronic characteristics under applied biaxial tensile and compressive strains. The band gap changes from 4.89 to 3.77 eV, while the energy gap nature transitions from direct to indirect during tensile strain fluctuations of 0% to 8%. Strain is also found to have a significant effect on the optical absorption peaks. And a 0-8% rise in tensile strain causes the initial absorption peak of the 2D AlN/GaN nanoheterostructure to shift from 4.88 to 4.20 eV, which results in a 14% red shift in photon energy for every 2% change in strain. Furthermore, the optimum bandgap and band edge positions of the 2D AlN/GaN nanoheterostructure enable the water redox process to produce hydrogen and oxygen for wide range of pH. Thus, modification via strain may be an effective method for altering the optical as well as electronic characteristics of a 2D AlN/GaN nanoheterostructure, and this study may pave the way for new applications of this material in optoelectronic devices in the future. METHODS: In the current work, density functional theory is used to explore every attribute of the 2D AlN/GaN nanoheterostructure. To characterize the electronic exchange-correlation, we used the PBEsol functional. In order to prevent any interlayer contact between periodicity of images, a vacuum is produced along the z-direction of approximately 10 Å. To increase the precision of bandgap prediction, the electronic and optical characteristics were computed using the meta-GGA lmBJ functional. To account for interlayer van der Waals interactions, nanoheterostructure computations were performed using the DFT-D3 functional.

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In this report, we have developed highly water soluble and stable silver nanoparticles (Ag NPs) utilizing N-Cholyl Mercapto Histidine (NCMH) as a reducing and stabilizing agent with near the primary critical micellar concentration (CMC) under ambient sunlight irradiation. Moreover, The NCMH was firstly synthesized by demonstrating the reaction between cholic acid and 2- Mercapto Histidine through a simple acid amine coupling approach. The primary and secondary CMC of NCMH surfactant was measured by pyrene (1 × 10-6 M) as a fluorescent probe, and values were found to be 3.2 and 13.1 mM respectively. The synthesized Ag NPs showed at neutral pH and highly stable for more than one year without any noticeable aggregation. The TEM analysis displays the synthesized Ag NPs having a spherical shape and average size of 9.6 ± 0.5 nm. The synthesis of stabilized Ag NPs was used for ultra-sensitive and selective detection of Hg2+ ions in aqueous medium were monitored by Uv-visible spectrometer and naked eyes with a lowest limit of detection (LOD) 7 nM. The photo-catalytic degradation of methyl orange (MO) by utilizing Ag NPs as nano-catalyst exhibits a potential degradation within a study period of 180 min. Concluding that, facile and cost effective green synthesis of NCMH capped Ag NPs possess excellent reducing ability towards the selective detection of Hg2+ ions along with photo-catalytic degradation of MO dye. These true findings detached an innovative pathway of Ag NPs towards the reactivity against the catalytic activity of dye degradation and selective sensing of Hg2+ ions. Thus it paves the way for extensive range of novel potential applications of Ag NPs in various environment friendly approaches of sensitive and analytical protocol in the future.

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To find out the most contaminated street region and protect the pedestrian with the photo-catalytic equipment to decrease the hazard of oxynitride (NOx), Computational Fluid Dynamics (CFD) simulation could be used to research the main factor affecting the statistical characteristics of the oxynitride distribution in the urban street canyon with the photo-catalytic building walls. Additionally, the connection was investigated and focused on the swirling flow and oxynitride concentration to find out the root of the main factor affecting oxynitride distribution. The simulation results showed that there was one three-dimensional swirling flow in the whole canyon and the statistical concentration was straightforwardly related to the swirling or whirling flow structure (such as eddy). The characteristics had been confirmed that the whirling flow structure affected the complex oxynitride distribution in the street canyon with the photo-catalytic building walls. Furthermore, one formula was found which described the oxynitride concentration constrained by the street canyon. This study illustrated that different sections in the canyon had various patterns of the whirling flow structure (swirling flow) and oxynitride. In the symmetrical portion of the street canyon (in the middle of the street length), there is one concise equation to describe the NOx concentration affected by the turbulence intensity. Moreover, the equation was presented as CR = 1.094 + 0.11e-I, where I was the turbulence intensity and CR was the oxynitride relative concentration in the street canyon.

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The presence of hematite (Fe2O3) clusters at low coverage on titanium dioxide (TiO2) surface has been observed to enhance photocatalytic activity, while excess loading of hematite is detrimental. We conduct a comprehensive density functional theory study of Fe2O3clusters adsorbed on the anatase TiO2(101) surface to investigate the effect of Fe2O3on TiO2. Our study shows that TiO2exhibits improved photocatalytic properties with hematite clusters at low coverage, as evidenced by a systematic study conducted by increasing the number of cluster adsorbates. The adsorption of the clusters generates impurity states in the band gap improving light absorption and consequently affecting the charge transfer dynamics. Furthermore, the presence of hematite clusters enhances the activity of TiO2in the hydrogen evolution reaction. The Fe valence mixing present in some clusters leads to a significant increase in H2evolution rate compared with the fixed +3 valence of Fe in hematite. We also investigate the effect of oxygen defects and find extensive modifications in the electronic properties and local magnetism of the TiO2-Fe2O3system, demonstrating the wide-ranging effect of oxygen defects in the combined system.

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The ion extraction and electro/photo catalysis are promising methods to address environmental and energy issues. Covalent organic frameworks (COFs) are a class of promising template to construct absorbents and catalysts because of their stable frameworks, high surface areas, controllable pore environments, and well-defined catalytic sites. Among them, ionic COFs as unique class of crystalline porous materials, with charges in the frameworks or along the pore walls, have shown different properties and resulting performance in these applications with those from charge-neutral COFs. In this review, current research progress based on the ionic COFs for ion extraction and energy conversion, including cationic/anionic materials and electro/photo catalysis is reviewed in terms of the synthesis strategy, modification methods, mechanisms of adsorption and catalysis, as well as applications. Finally, we demonstrated the current challenges and future development of ionic COFs in design strategies and applications.

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Cerium-based Metal-Organic frameworks (Ce-MOFs) are attracting increasing interest due to their similar structural features to zirconium MOFs. The redox behavior of Ce(III/IV) adds a range of properties to the compounds. Recently, perfluorinated linkers have been used in the synthesis of MOFs to introduce new characteristic into the structure. We report the synthesis and structural characterization of Ce(IV)-based MOFs constructed using two perfluorinated alkyl linkers. Their structure, based on hexanuclear Ce6O4(OH)4 12+ clusters linked to each other by the dicarboxylate ions, has been solved ab-initio from X-ray powder diffraction data and refined by the Rietveld method. The crystallization kinetics and the MOF formation mechanism was also invesitigated by Synchrotron radiation with XAS spectroscopies (EXAFS and XANES). The MOFs present the same fcu cubic topology as observed in MOF-801 and UiO-66, and they showed good stability in water at different pH conditions. The electronic structure of these MOFs has been studied by DFT calculations in order to obtain insights into the density of states structure of the reported compounds, resulting in band gaps in the range of 2.8-3.1 eV. Their catalytic properties were tested both thermally and under visible light irradiation for the degradation of methyl orange (MO) dye.

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Organophosphorus pesticides, particularly profenofos (PF), pose a significant threat to the food supply and human health due to their persistence, toxicity, and resistance to natural breakdown processes. An urgent need exists for an environmentally friendly solution, and photocatalysis emerges as a practical, cost-effective option. However, challenges like poor light responsiveness and difficulties in material separation and reusability persist. To address these issues, we developed a nanocomposite consisting of graphite carbon nitride (g-C3N4) doped with polydopamine (pDA) through a hydrothermal synthesis method. This innovative nanocomposite was employed as a photocatalyst to degrade PF. Various analytical techniques, including UV-DRS, FT-IR, XRD, HR-TEM, and EDAX, were utilized to characterize the synthesized nanocomposite. The strategically modulated band gaps of the nanocomposite enable efficient absorption of UV light, facilitating the robust photocatalytic degradation of PF (96.4%). Our study explored photodegradation using different g-C3N4/pDA catalyst dosages, varied PF concentrations, and pH levels (3, 5, 9, and 11) under UV light. Our findings promise applications in wastewater management, offering an efficient catalyst for PF degradation. This marks a significant stride in addressing challenges related to pesticide pollution in the environment.

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The urgent need to address the global energy and environmental crisis necessitates the development of efficient solar-power harvesting systems. Among the promising candidates, hierarchical inorganic nanostructures stand out due to their exceptional attributes, including a high specific surface area, abundant active sites, and tunable optoelectronic properties. In this comprehensive review, we delve into the fundamental principles underlying various solar energy harvesting technologies, including dye-sensitized solar cells (DSSCs), photocatalytic, photoelectrocatalytic (water splitting), and photothermal (water purification) systems, providing a foundational understanding of their operation. Thereafter, the discussion is focused on recent advancements in the synthesis, design, and development of hierarchical nanostructures composed of diverse inorganic material combinations, tailored for each of these solar energy harvesting systems. We meticulously elaborate on the distinct synthesis methods and conditions employed to fine-tune the morphological features of these hierarchical nanostructures. Furthermore, this review offers profound insights into critical aspects such as electron transfer mechanisms, band gap engineering, the creation of hetero-hybrid structures to optimize interface chemistry through diverse synthesis approaches, and precise adjustments of structural features. Beyond elucidating the scientific fundamentals, this review explores the large-scale applications of the aforementioned solar harvesting systems. Additionally, it addresses the existing challenges and outlines the prospects for achieving heightened solar-energy conversion efficiency.

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Water scarcity and pollution pose significant challenges to global environmental sustainability and public health. As these concerns intensify, the quest for innovative and efficient water treatment technologies becomes paramount. In recent years, graphene-based nanomaterials have emerged as frontrunners in this pursuit, showcasing exceptional properties that hold immense promise for addressing water contamination issues. Graphene, a single layer of carbon atoms arranged in a hexagonal lattice, exhibits extraordinary mechanical, electrical, and chemical properties. These inherent characteristics have led to a surge of interest in leveraging graphene derivatives, such as graphene oxide (GO), reduced graphene oxide and functionalized graphene, for water treatment applications. The ability of graphene-based nanomaterials to adsorb, catalyze, and photocatalyze contaminants makes them highly versatile in addressing diverse pollutants present in water sources. This review will delve into the synthesis methods employed for graphene-based nanomaterials and explore the structural modifications and functionalization strategies implemented to increase their pollutant removal performance in water treatment. By offering a critical analysis of existing literature and highlighting recent innovations, it will guide future research toward the rational design and optimization of graphene-based nanomaterials for water decontamination. The exploration of interdisciplinary approaches and cutting-edge technologies underscores the evolving landscape of graphene-based water treatment, fostering a path toward sustainable and scalable solutions. Overall, the authors believe that this review will serve as a valuable resource for researchers, engineers, and policymakers working toward sustainable and effective solutions for water purification.

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This paper describes a simple phyto-remediation of feather-like silver/copper bi-matrix (BMs) was constructed by employing pommagrant waste peel (PWP) extract as crucial role of reducing agent and chelating agents. Numerous strategies, including UV-Visible, XRD, SEM-EDX, and TEM and BET isotherm were used to analysis the optical, structural, surface area and functional properties. Ag/Cu BPNMs of TEM characterization shows feather-like architectural features with constrained size and shape. The Ag/Cu co-catalytic nanoparticles have a particle size of 34-64 nm. The photocatalytic efficiency of Ag/Cu BMs was investigated using a garment dye, Congo red (CR), at successive time intervals under halogen lamp exposure. For Ag/Cu bimetallic nanoparticles, the photocatalytic degradation rate was recorded to be 100% after 40 min which is caused by adsorption of Congo red dye molecules on Ag/Cu and their degradation by reactive oxygen species (ROS). ROS are free hydroxyl radicals such as •OH and O2• ions that have high oxidizing capacity. The developed Ag/Cu BMs shown effective bacteriostatic action against many infections.

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A novel Escherichia coli strain, created by engineering its cell surface with a cobalt-binding peptide CP1, was investigated in this study. The recombinant strain, pBAD30-YiaT-CP1, was structurally modeled to determine its cobalt-binding affinity. Furthermore, the effectiveness and specificity of pBAD30-CP1 in adsorbing and extracting cobalt from artificial wastewater polluted with the metal were investigated. The modified cells were subjected to cobalt concentrations (0.25 mM to 1 mM) and pH levels (pH 3, 5, 7, and 9). When exposed to a pH of 7 and a cobalt concentration of 1 mM, the pBAD30-CP1 strain had the best cobalt recovery efficiency, measuring 1468 mol/g DCW (Dry Cell Weight). Furthermore, pBAD30-CP1 had a higher affinity for cobalt than nickel and manganese. Field Emission Scanning Electron Microscopy (FE-SEM), Transmission Electron Microscopy (TEM), and Energy-Dispersive X-ray Spectroscopy (EDS) were used to examine the physiochemical parameters of the recombinant cells after cobalt adsorption. These approaches revealed the presence of cobalt in a bound state on the cell surface in the form of nanoparticles. In addition, the cobalt-binding recombinant strains were used in the photocatalytic reduction of methylene blue, which resulted in a 59.52% drop in the observed percentage. This study shows that modified E. coli strains have the potential for efficient cobalt recovery and application in environmental remediation operations.

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BACKGROUND: Bimetallic nanoparticles (BNPs) has drawn a lot of attention especially during the last couple of decades. A bimetallic nanoparticle stands for a combination of two different metals that exhibit several new and improved physicochemical properties. Therefore, the green synthesis and design of bimetallic nanoparticles is a field worth exploring. METHODS: In this study, we present a green synthesis of silver nanoparticles (Ag NPs), selenium (Se) NPs, and bimetallic Ag-Se NPs using Gamma irradiation and utilizing a bacterial filtrate of Bacillus paramycoides. Different Techniques such as UV-Vis., XRD, DLS, SEM, EDX, and HR-TEM, were employed for identifying the synthesized NPs. The antimicrobial and antibiofilm activities of both the Ag/Se monometallic and bimetallic Ag-Se NPs were evaluated against some standard microbial strains including, Aspergillus brasiliensis ATCC16404, Candida albicans ATCC10231, Alternaria alternate EUM108, Fusarium oxysporum EUM37, Escherichia coli ATCC11229, Bacillus cereus ATCC15442, Klebsiella pneumoniae ATCC13883, Bacillus subtilis ATCC15442, and Pseudomonas aeruginosa ATCC6538 as a model tested pathogenic microbes. The individual free radical scavenging potentials of the synthesized Ag NPs, Se NPs, and bimetallic Ag-Se NPs were determined using the DPPH radical scavenging assay. The degradation of methylene blue (MB) dye in the presence of the synthesized Ag NPs, Se NPs, and bimetallic Ag-Se NPs was used to assess their photocatalytic behavior. RESULTS: According to the UV-Vis. spectrophotometer, the dose of 20.0 kGy that results in Ag NPs with the highest O.D. = 3.19 at 390 nm is the most effective dose. In a similar vein, the optimal dose for the synthesis of Se NPs was 15.0 kGy dose with O.D. = 1.74 at 460 nm. With a high O.D. of 2.79 at 395 nm, the most potent dose for the formation of bimetallic Ag-Se NPs is 15.0 kGy. The recorded MIC-values for Ag-Se NPs were 62.5 µg mL- 1, and the data clearly demonstrated that C. albicans was the organism that was most susceptible to the three types of NPs. The MIC value was 125 µg mL- 1 for both Ag NPs and Se NPs. In antibiofilm assay, 5 µg mL- 1 Ag-Se NPs inhibited C. albicans with a percentage of 90.88%, E. coli with a percentage of 90.70%, and S. aureus with a percentage of 90.62%. The synthesized NPs can be arranged as follows in decreasing order of antioxidant capacity as an antioxidant result: Ag-Se NPs > Se NPs > Ag NPs. The MB dye degradation in the presence of the synthesized Ag NPs, Se NPs, and bimetallic Ag-Se NPs was confirmed by the decrease in the measured absorbance (at 664 nm) after 20 min of exposure to sunlight. CONCLUSION: Our study provides insight towards the synthesis of bimetallic NPs through green methodologies, to develop synergistic combinatorial antimicrobials with possible applications in the treatment of infectious diseases caused by clinically and industrial relevant drug-resistant strains.

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The prominent role of gold-N-heterocyclic carbene (NHC) complexes in numerous research areas such as homogeneous (photo)catalysis, medicinal chemistry and materials science has prompted organometallic chemists to design gold-based synthons that permit access to target complexes through simple synthetic steps under mild conditions. In this review, the main gold-NHC synthons employed in organometallic synthesis are discussed. Mechanistic aspects involved in their synthesis and reactivity as well as applications of gold-NHC synthons as efficient pre-catalysts, antitumor agents and/or photo-emissive materials are presented.

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Oxides of vanadium, titanium and graphitic carbon nitride (g-C3N4) are well known for their catalytic activities. In order to achieve synergic catalytic effects, a novel nanocomposite (NC) i.e. V2O5/TiO2/g-C3N4 has been synthesized by a very simple, ecofriendly and nonhazardous hydrothermal method. The fabricated NC was characterized employing UV-Visible, FTIR, SEM, and XRD techniques. UV-Visible and FTIR analysis indicated the formation of the nanocomposite and XRD analysis confirmed the association of V2O5 and TiO2 with g-C3N4 in nanocomposite. SEM study indicated the hetero-structure of NC having size ranging from 50 to 80 nm and it was found having hexagonal crystallite structure. The synthesized nanocomposite exhibited excellent scavenging of free radicals DPPH● (91%) and ABTS●+ (64%) that are responsible for the oxidation of biomolecules. Therefore, NC can be claimed having biomolecule oxidation protective potential. In addition, photocatalytic ability for the degradation of methylene blue (MB) and methyl orange (MO) was also achieved up to 94% and 89% respectively. The synthesized novel nanocomposite exhibited excellent potential to remove free radicals and dyes from aqueous medium which can be further used for the environmental remediation.

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Bismuth Vanadate (BiVO4) has been synthesized using simple hydrothermal technique while varying the pH of concentrated H2SO4. With the increase of pH values (from 06 to 10), the morphology of the synthesized material tuned in the form of nano-spheres and cubes in the range from 50 to 60 nm. The lateral affect tuned the bandgap of BiVO4 from 2.47 eV to 2.50 eV which is significant in the context of present study. It is worth mentioning that desirous bandgap corresponds to the visible spectrum of the solar light being abundantly available and finds many applications in real life. The synthesized nanomaterial BiVO4 has been characterized through UV-Vis spectroscopy, X-ray diffraction, Scanning electron microscope and energy-dispersive X-ray (EDX) spectroscopy. The synthesized BiVO4 has been tested as photocatalyst for degradation of industrial pollutant from Leather Field Industry. Said catalyst (BiVO4) successfully degraded the industrial pollutant after 3 h under solar light irradiation. Therefore, the BiVO4 can be regarded as potential photocatalyst for degradation of industrial waste which is highly needed.

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Tanning and other leather processing methods utilize a large amount of freshwater, dyes, chemicals, and salts and produce toxic waste, raising questions regarding their environmental sensitivity and eco-friendly nature. Total suspended solids, total dissolved solids, chemical oxygen demand, and ions such as chromium, sulfate, and chloride turn tannery wastewater exceedingly toxic for any living species. Therefore, it is imperative to treat tannery effluent, and existing plants must be examined and upgraded to keep up with recent technological developments. Different conventional techniques to treat tannery wastewater have been reported based on their pollutant removal efficiencies, advantages, and disadvantages. Research on photo-assisted catalyst-enhanced deterioration has inferred that both homogeneous and heterogeneous catalysis can be established as green initiatives, the latter being more efficient at degrading organic pollutants. However, the scientific community experiences significant problems developing a feasible treatment technique owing to the long degradation times and low removal efficiency. Hence, there is a chance for an improved solution to the problem of treating tannery wastewater through the development of a hybrid technology that uses flocculation as the primary treatment, a unique integrated photo-catalyst in a precision-designed reactor as the secondary method, and finally, membrane-based tertiary treatment to recover the spent catalyst and reclaimable water. This review gives an understanding of the progressive advancement of a cutting-edge membrane-based system for the management of tanning industrial waste effluents towards the reclamation of clean water. Adaptable routes toward sludge disposal and the reviews on techno-economic assessments have been shown in detail, strengthening the scale-up confidence for implementing such innovative hybrid systems.

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The rapid efflux of Pt-based chemotherapeutics by cancer cells is one of the major causes of drug resistance in clinically available drugs. Therefore, both the high cellular uptake as well as adequate retention efficiency of an anticancer agent are important factors to overcome drug resistance. Unfortunately, rapid and efficient quantification of metallic drug concentration in individual cancer cells still remains a tricky problem. Herein, with the help of newly developed single cell inductively coupled plasma mass spectrometry (SC-ICP-MS), we have found that the well-known Ru(II)-based complex, Ru3, displayed remarkable intracellular uptake and retention efficiency in every single cancer cell with high photocatalytic therapeutic activity to overcome cisplatin resistance. Moreover, Ru3 has shown sensational photocatalytic anticancer properties with excellent in-vitro and in-vivo biocompatibility under light exposure.

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Sulphate-reducing bacteria wreaks havoc to oil pipelines, as it is an active agent for scale formation in the oil production tubing, and plugging of reservoir rock around the oil wells, and this leads to the degradation of oil quality. In this work, we synthesized copper oxide/titanium dioxide nanocomposite photocatalysts with three different mass contents of copper oxide (10%, 20% and 30%) and used them as an effective photo-catalyst in the process of photo-catalytic deactivation of sulphate-reducing bacteria. The anchoring of copper oxide on titanium dioxide brought about the following positive attributes in copper oxide/titanium dioxide nanocomposite pertained to the photo-catalyst: (i) the material transformed to visible light active with the potential to harness the more efficient visible spectral region of the solar radiation, (ii) increased surface area on the photo-catalyst enhanced the number of active reaction sites in the material, and (iii) efficiently retarded the undesired photo-generated electron hole recombination to promote the photo-catalytic activity. Although, the photo-catalyst effective under both UV and visible light, the deactivation was found to be higher in visible radiation, particularly the nanocomposite with 20%- copper oxide on titanium dioxide showed the highest photocatalytic degradation with of Sulphate-reducing bacteria with a decay constant as high as 1.38 min -1 and the total depletion time as low as 8 min. It was confirmed that the bacterial deactivation was neither due to the bactericidal effect of the nanocomposite nor due to the light mediated deactivation.

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In this study, a highly air stable and eco-friendly methyl ammonium bismuth iodide (MA3 Bi2 I9 ) perovskite-like material has been prepared. After physiochemical characterizations, the synthesized MA3 Bi2 I9 was utilized as photo-catalyst towards hydrogen production. It is important to design and synthesize lead (Pb)-free perovskite-like material (MA3 Bi2 I9 ) for photo-catalytic hydrogen-production applications. The synthesized MA3 Bi2 I9 exhibits excellent photo-catalytic hydrogen generation with a production rate of 11.43 µmolg-1 h-1 . In the presence of a platinum co-catalyst, the hydrogen production rate further increases to 172.44 µmolg-1 h-1 . The MA3 Bi2 I9 photo-catalyst also demonstrates excellent cyclic stability.

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Silver nanoparticles (Ag NPs) were synthesised by the reduction of Ag+ to Ag0 in the presence of enol form of flavonoids present in plant extract of Tabernaemontana divaricate (T. divaricate). Prepared Ag NPs were characterised using UV-Vis, XRD, HR-TEM with EDX and XPS techniques. XPS spectra exhibited peaks at 366 eV and 373 eV, which specified spin orbits for Ag 3d3/2, and Ag 3d5/2 that confirmed the formation of Ag NPs. Ag NPs were spherical in shape with an average size of 30 nm as revealed by HR-TEM and FE-SEM techniques. EDX studies verified the high purity of Ag NPs with silver 46.96%, carbon 16.35%, oxygen 16.22%, nitrogen 20.25% and sulphur 0.21%. LC-MS analysis of plant extract confirmed the qualitative presence of alkaloids, tannins, flavonoids, phenols, and carbohydrates. Prepared Ag NPs showed good photocatalytic activity towards degradation of 4-Amniopyridine with 61% degradation efficiency at optimum conditions in 2 h of reaction time under visible light. The ten intermediates were found within the mass number of 0-450. Ag NPs synthesised using bio-extract have also shown good inactivation against Escherichia coli (E. coli) and Bacillus subtilis (B. subtilis) bacteria due to the availability of free radicals.

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