Strong Chemical Interaction Research Articles

Boosting Electrochemical Degradation of Water Pollutants Using Sulfur‐Rich Porous Polyimide‐Derived Laser‐Induced Graphene Catalytic Membrane

Water pollution is an inevitable concern associated with technological advancement. To address this problem, it is necessary to significantly shorten the manufacturing process of porous materials while enabling effective pollutant removal. Herein, a facile, rapid, and scalable approach is reported to obtain sulfur‐doped hierarchically porous laser‐induced graphene (S‐LIG) as a catalytic membrane with three‐dimensional networks by localized laser irradiation, along with possible adsorption and electrochemical degradation mechanisms for pollutant removal. S‐LIG is derived from sulfur‐containing porous polyimide film which is prepared via thermally induced phase separation followed by stepwise thermal imidization. Methylene blue (MB) adsorption behavior on the S‐LIG membrane closely fits the pseudo‐second‐order and Freundlich isotherm models, suggesting a complex sorption mechanism, including both strong chemical interaction and physical adsorption. Furthermore, S‐doping enhances catalytic activity for generating reactive oxygen species (ROS), aiding MB degradation via indirect oxidation, and improves direct oxidation on the anode by accelerating electron transfer at the electrodes. This results in a stable 93% MB degradation at a low 1.5 V after 24 h. Additionally, the impact of solution pH reveals that electrostatic attraction forces under basic conditions and the high generation of ROS under acidic conditions favor adsorption and electrochemical oxidation.

Tuning interfacial charge transfer for efficient photodegradation of tetracycline hydrochloride over Ti3C2/Bi12O17Cl2 Schottky heterojunction and theoretical calculations

In the ecological environment, tetracycline hydrochloride (TCH) is one of the excessive antibiotics from water, which has watched the eye of researchers. Developing a high-performance photocatalyst to address this phenomenon still faces a big challenge. Herein, we describe a straightforward chemical procedure in-situ self-assembly via one-step solvothermal process to create a new two-dimensional/two-dimensional (2D/2D) Ti3C2/Bi12O17Cl2 heterojunctions. The heterojunction at the interface with a strong chemical interaction between Ti3C2 and Bi12O17Cl2 is well revealed by the serial characterizations and theoretical calculations. The superior photocatalytic activity of Ti3C2/Bi12O17Cl2 is attributed to its low recombination rate of electrons and holes, photothermal effect, high electron transfer during reactions and high photochemical current. Finally, the photocatalytic mechanism over Ti3C2/Bi12O17Cl2 is also provided. This work provides an intriguing strategy for the construction of superior photocatalysts for pollutant degradation using MXene as co-catalysts.

Breaking New Grounds: solid-state synthesis of TiO2 – La2O3 – CuO Nanocomposites for degrading Brilliant Green dye under Visible Light

Environmental pollution, particularly from industrial dyes and chemicals, poses a significant threat to ecosystems and human health. Traditional pollution mitigation methods are often inefficient and costly. Photocatalysis has emerged as a promising solution for degrading pollutants using light energy. Titanium dioxide (TiO2) is a widely studied photocatalyst due to its stability, non-toxicity, and strong oxidative power. However, its efficiency is limited by a wide bandgap, restricting absorption to the UV region, and rapid electron-hole recombination. To address these limitations, doping TiO2 with materials like La2O3 and CuO has been explored to enhance its photocatalytic activity under visible light. This study investigates the enhancement of TiO2 nanocomposites by incorporating La2O3 and CuO. X-ray diffraction (XRD) revealed that the nanocomposites retained TiO2's anatase and rutile phases with improved crystallinity. Scanning electron microscopy (SEM) displayed spherical nanoparticles forming agglomerates, typically due to high surface energy. Energy-dispersive X-ray spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of La and Cu in the TiO2 matrix. Fourier-transform infrared (FTIR) spectroscopy identified characteristic vibrational modes of Ti–O, La–O, and Cu–O bonds, suggesting strong chemical interactions between dopants and TiO2 lattice. Ultraviolet-visible (UV-Vis) spectroscopy showed a red shift in absorption spectra with La2O3 and CuO addition, reducing the bandgap energy from 3.23 eV (pure TiO2) to 2.27 eV for the TiO2–0.1La2O3–0.2CuO composite. Photoluminescence (PL) spectroscopy indicated improved charge separation and reduced electron-hole recombination rates in the synthesized nanocomposites. Photocatalytic performance was evaluated by degrading Brilliant Green (BG) dye under visible light. The TiO2–0.1La2O3–0.2CuO (TLC0.2) nanocomposite achieved a maximum dye degradation of over 95% after 204 minutes under optimal conditions (C0 = 17 mg/L and a S/L ratio of 1 g/L). Adding the inorganic agent Na2SO4 to this process significantly enhanced photocatalytic activity, increasing degradation from 56% to 95% after 180 min of visible light irradiation under C0 = 20 mg/L and S/L = 0.5 g/L conditions, as it shows a high stability after six reuse cycles. In conclusion, La2O3 and CuO doping significantly enhance TiO2 nanocomposites' crystalline structure, morphology, optical properties, and photocatalytic efficiency, demonstrating their potential for environmental remediation and solar energy conversion.

Self‐Induced Bi‐interfacial Modification via Fluoropyridinic Acid For High‐Performance Inverted Perovskite Solar Cells

AbstractThe uncontrolled crystallization of perovskite generates a significant number of internal and interfacial defects, posing a major challenge to the performance of perovskite solar cells (PSCs). In this paper, a novel bi‐interfacial modification strategy utilizing 5‐fluoropyridinic acid (FPA) is proposed to modulate crystal growth and provide defect passivation. It is demonstrated that FPA is self‐deposited at both the top and bottom interfaces of perovskite films during thermal annealing. The CO and N functional groups in FPA serve as chelating agents, binding closely to uncoordinated Pb2+/Pb clusters, thereby passivating defects and reducing charge recombination at the interfaces. The strong chemical interactions between FPA and Pb further stabilize the Pb‐I framework, promoting the formation of high‐quality perovskite films, as confirmed by in situ photoluminescence measurements. Consequently, the modified inverted PSCs achieved an exceptional power conversion efficiency (PCE) of 25.37%. Moreover, the devices retained over 93.17% of initial efficiency after 3000 h of continuous illumination under one‐sun equivalent conditions in a nitrogen atmosphere. This paper presents a promising pathway for enhancing the performance and stability of inverted PSCs through a self‐induced bi‐interfacial modification approach.

The aromatic amino acid phenylalanine: a versatile tool for binding transition metal ions.

The human body contains many different types of transition metal ions, such as Zn2+, Cu2+, which are involved in many physiological processes. An excess or deficiency of these ions can cause diseases, such as Alzheimer's disease, which is closely related to the levels of these ions in the body. In-depth understanding of various physiological and pathological mechanisms related to metal ions requires understanding the interaction between metal ions and nearby amino acids at the atomic level. This article selected four transition metal ions: Zn2+, Cu2+, Fe2+, and Mn2+ and the aromatic amino acid Phe, known for its strong coordination capability, as study subjects, comprehensively examining their binding situations. The results show that there are multiple binding modes between them and Phe, and most of the binding modes involve benzene ring coordination. The coordination strength order of the four metal ions with benzene ring, carbonyl O, hydroxyl O and amino N is different. For the lowest energy structure formed by each ion with Phe, all four ions are bound to N, carbonyl O, and benzene ring. Zn2+ is combined with two C's of the benzene ring, Cu2+ with four C's of the benzene ring, and Fe2+ and Mn2+ with the benzene ring as a whole. Part of the reason for this phenomenon may be derived from the tendency of transition metal ions to reach 18e stable structures when bound to ligands. There is a strong binding force between the four ions and Phe, and the binding trend is Cu2+(-294.9kcal/mol) > Zn2+(-261.3kcal/mol) > Fe2+(-247.5kcal/mol) > Mn2+(-220.2kcal/mol). Mayer bond order analysis and molecular orbital localization analysis found that there are very strong chemical interactions between transition metal ions and surrounding atoms, especially with N and carbonyl O. Several initial structures with different coordination modes to Phe were created according to chemical intuition for each divalent cation. Then semiempirical MD simulations at GFN2 level were run on these structures. The numerous generated structures were classified according to some criteria, then representative geometries were preliminarily optimized by TPSSh/6-31G*/LanL2DZ. To get more accurate electronic energies, high-precision quantum chemistry calculations at the level of TPSSh/def2TZVPP//TPSSh/def2QZVPP were carried out on the selected low-lying structures. All the optimized structures were confirmed to be minima without imaginary frequency by performing frequency analyses. Further electronic structure analyses such as IRI, Mayer bond order, IBSI etc. were performed to get more insights into the binding between the transition metal ions and Phe.

Investigation of mechanical properties on functionally graded material reinforced with graphene nanoplatelets for biomedical applications

ABSTRACT This research focuses on the mechanical characterization of FG material graded with Graphene nano-platelets (GPLs) in the transverse direction. Different weight percentages of GPL (0–2 wt. %) were incorporated into epoxy resin for manufacturing the FGM using a simple casting method and the effects were analyzed. This paper aims to enhance the material’s performance, especially focusing on its potential use in biomedical tools. Mechanical tests including assessment on tensile, flexural, impact strength, and microhardness demonstrated substantial improvement in strength and stiffness as compared to other nanocomposite structures. Microstructural analysis using scanning electron microscopy (SEM), Fourier-Transform Infrared Spectroscopy (FTIR), and X-ray Diffraction (XRD) analysis which hint at the strong chemical interaction and physical association of GPL nanofiller with the epoxy resin. Thermal analysis was conducted using the Dynamic Mechanical Analysis (DMA) test, which revealed enhanced thermal stability of the FG specimen with a higher glass transition temperature than other carbon nanofillers mixed in epoxy resin. This is advantageous for the FG material to maintain its glassy state, maintaining safety and reliability during high-temperature medical applications. All these findings indicate that the proposed FG-GPL material possesses the necessary mechanical properties, suggesting that customized nanofiller integration could lead to significant advancements in medical procedures, such as in vivo stomach biopsy treatments, drug delivery systems, etc. The material also meets specific anatomical requirements and reduces the risk of malfunction, thereby ensuring patient safety as justified by current experimental investigations.

Enhanced photoelectrochemcial activity of TiO2 nanoparticles by graphene intercalation

The photoelectronchemical (PEC) activity of the photocatalyst is largely dependent on the concentration and lifetime of the photogenerated carriers, however, these carriers are easily and quickly neutralized within the photocatalyst. To address this issue, we designed a superstructure of graphene-intercalated TiO2 nanoparticles (TiO2/G) by pyrolyzing octylamine-intercalated hexafluorotitanic acid hybrids. The inserted graphene accelerates photoelectron transfer and reduces the recombination of photogenerated carriers in the body, while maintains the structural stability. The TiO2/G hybrid composite exhibits a low carbon content of only 1.3 wt.%, a strong Ti-C chemical interaction between TiO2 and intercalated graphene, and a large surface area of 38.88 m2/g, nearly five times that of bare TiO2 (7.96 m2/g). The findings from the photocatalytic experiments indicate that the photocatalytic efficiency and photocurrent response of TiO2/G are twice and 4.22 times higher, respectively, compared to standard TiO2 nanoparticles. This indicates a substantial promise for the superstructure in photoelectrochemistry and energy conversion applications.

Adsorption of an organic pollutant in to exchanged NaX zeolite: Thermodynamic study

NaX zeolite was modified with copper ions and used for the adsorption of mercaptobenzothiazole (MBT) from aqueous solution. Characterization studies by XRD, DTA/TGA and SEM/EDX confirmed the successful ion exchange and the retention of the zeolite's crystalline structure. XRD results show that the most intense peaks characteristic of 13X persist after the exchange reaction for all samples, with crystallinity ranging from 81 % for the Cu(27)X zeolite to 38 % for the Cu(88)X sample. All exchanged zeolites exhibited optimal MBT adsorption at pH= 6, with adsorption increasing with temperature. It is 195.3 mg/g for the best adsorbent. FTIR and XRD analyses revealed that the adsorption mechanism involves a strong chemical interaction between the nitrogen atom of MBT and the copper ions within the zeolite framework.

Simultaneous Defect Passivation and Co‐Catalyst Engineering Leads to Superior Photocatalytic Hydrogen Evolution on Metal Halide Perovskites

AbstractMetal halide perovskites (MHPs) have emerged as attractive candidates for producing green hydrogen via photocatalytic pathway. However, the presence of abundant defects and absence of efficient hydrogen evolution reaction (HER) active sites on MHPs seriously limit the solar‐to‐chemical (STC) conversion efficiency. Herein, to address this issue, we present a bi‐functionalization strategy through decorating MHPs with a molecular molybdenum‐sulfur‐containing co‐catalyst precursor. By virtue of the strong chemical interaction between lead and sulfur and the good dispersion of the molecular co‐catalyst precursor in the deposition solution, a uniform and intimate decoration of the MHPs surface with lead sulfide (PbS) and amorphous molybdenum sulfide (MoSx) co‐catalysts is obtained simultaneously. We show that the PbS co‐catalyst can effectively passivate the Pb‐related defects on the MHPs surface, thus retarding the charge recombination and promoting the charge transfer efficiency significantly. The amorphous MoSx co‐catalyst further promotes the extraction of photogenerated electrons from MHPs and facilitates the HER catalysis. Consequently, drastically enhanced photocatalytic HER activities are obtained on representative MHPs through the synergistic functionalization of PbS and MoSx co‐catalysts. A solar‐to‐chemical (STC) conversion efficiency of ca. 4.63 % is achieved on the bi‐functionalized FAPbBr3‐xIx (FA=CH(NH2)2), which is among the highest values reported for MHPs.

Simultaneous Defect Passivation and Co-Catalyst Engineering Leads to Superior Photocatalytic Hydrogen Evolution on Metal Halide Perovskites.

Metal halide perovskites (MHPs) have emerged as attractive candidates for producing green hydrogen via photocatalytic pathway. However, the presence of abundant defects and absence of efficient hydrogen evolution reaction (HER) active sites on MHPs seriously limit the solar-to-chemical (STC) conversion efficiency. Herein, to address this issue, we present a bi-functionalization strategy through decorating MHPs with a molecular molybdenum-sulfur-containing co-catalyst precursor. By virtue of the strong chemical interaction between lead and sulfur and the good dispersion of the molecular co-catalyst precursor in the deposition solution, a uniform and intimate decoration of the MHPs surface with lead sulfide (PbS) and amorphous molybdenum sulfide (MoSx) co-catalysts is obtained simultaneously. We show that the PbS co-catalyst can effectively passivate the Pb-related defects on the MHPs surface, thus retarding the charge recombination and promoting the charge transfer efficiency significantly. The amorphous MoSx co-catalyst further promotes the extraction of photogenerated electrons from MHPs and facilitates the HER catalysis. Consequently, drastically enhanced photocatalytic HER activities are obtained on representative MHPs through the synergistic functionalization of PbS and MoSx co-catalysts. A solar-to-chemical (STC) conversion efficiency of ca. 4.63 % is achieved on the bi-functionalized FAPbBr3-xIx (FA=CH(NH2)2), which is among the highest values reported for MHPs.

β-Ketoenamine-linked covalent organic framework for efficient iodine capture.

Exploring the materials that effectively capture radioactive iodine is crucial in managing nuclear waste produced from nuclear power plants. In this study, a β-ketoenamine-linked covalent organic framework (bCOF) is reported as an effective adsorbent to capture iodine from both vapor and solution. The bCOF's high porosity and heteroatom-rich skeleton offer notable iodine vapor uptake capacity of up to 2.51 g g-1 at 75 °C under ambient pressure. Furthermore, after five consecutive adsorption-desorption cycles, the bCOF demonstrates high reusability performance with significant iodine vapor capacity retention. The adsorption mechanism was also investigated using various ex situ structural characterization techniques, and these mechanistic studies revealed the existence of a strong chemical interaction between the bCOF and iodine. The bCOF also showed good iodine uptake performance of up to 512 mg g-1 in cyclohexane with high removal efficiencies. The bCOF's performance in adsorbing iodine from both vapor and solution makes it a promising material to be used as an effective adsorbent in capturing radioactive iodine emissions from nuclear power plants.

Adsorption and sensing performances of vacancy defects and Cu-embedded GaN/MoTe2 heterostructure for harmful gases: A DFT study

By utilizing density functional theory (DFT), we explore the adsorption and sensing performance of NO, NO2, SO2 and CO on intrinsic GaN/MoTe2 heterostructure, vacancy-defective GaN/MoTe2 heterostructures and Cu-embedded GaN/MoTe2 heterostructures, respectively. The results indicate that the VGa-GaN/MoTe2 heterostructure exhibits higher adsorption energy (yielding more negative values) for all four gases, demonstrating superior adsorption performance compared to the intrinsic system. Similarly, the Cu-GaN/MoTe2 heterostructure also improves the adsorption performance for nitrogen oxides. Meanwhile, the Cu-MoTe2/GaN heterostructure also significantly outperforms the intrinsic systems in terms of adsorption performance for the four harmful gases. Particularly, the Cu-MoTe2/GaN heterostructure has an adsorption energy of −2.22 eV for NO2 and a charge transfer amount of up to 0.72 e, indicating a strong chemical interaction between the adsorption system and gas molecules. Therefore, Cu-MoTe2/GaN is a potential ideal gas adsorption material. This work offers a theoretical foundation for transition metal-doped semiconductor heterostructures for future research.

Blade-Coating (100)-Oriented α-FAPbI3 Perovskite Films via Crystal Surface Energy Regulation for Efficient and Stable Inverted Perovskite Photovoltaics.

Photoactive black-phase formamidinium lead triiodide (α-FAPbI3) perovskite has dominated the prevailing high-performance perovskite solar cells (PSCs), normally for those spin-coated, conventional n-i-p structured devices. Unfortunately, α-FAPbI3 has not been made full use of its advantages in inverted p-i-n structured PSCs fabricated via blade-coating techniques owing to uncontrollable crystallization kinetics and complicated phase evolution of FAPbI3 perovskites during film formation. Herein, a customized crystal surface energy regulation strategy has been innovatively developed by incorporating 0.5 mol % of N-aminoethylpiperazine hydroiodide (NAPI) additive into α-FAPbI3 crystal-derived perovskite ink, which enabled the formation of highly-oriented α-FAPbI3 films. We deciphered the phase transformation mechanisms and crystallization kinetics of blade-coated α-FAPbI3 perovskite films via combining a series of in-situ characterizations and theoretical calculations. Interestingly, the strong chemical interactions between the NAPI and inorganic Pb-I framework help to reduce the surface energy of (100) crystal plane by 42 %, retard the crystallization rate and lower the formation energy of α-FAPbI3. Benefited from multifaceted advantages of promoted charge extraction and suppressed non-radiative recombination, the resultant blade-coated inverted PSCs based on (100)-oriented α-FAPbI3 perovskite films realized promising efficiencies up to 24.16 % (~26.5 % higher than that of the randomly-oriented counterparts), accompanied by improved operational stability. This result represented one of the best performances reported to date for FAPbI3-based inverted PSCs fabricated via scalable deposition methods.

Blade‐Coating (100)‐Oriented α‐FAPbI3 Perovskite Films via Crystal Surface Energy Regulation for Efficient and Stable Inverted Perovskite Photovoltaics

Photoactive formamidinium lead triiodide (α‐FAPbI3) perovskite has dominated the prevailing high‐performance perovskite solar cells (PSCs), normally for those spin‐coated, conventional n‐i‐p structured devices. Unfortunately, α‐FAPbI3 has not been made full use of its advantages in inverted p‐i‐n structured PSCs fabricated via blade‐coating techniques owing to uncontrollable crystallization kinetics and complicated phase evolution of FAPbI3 perovskites. Herein, a customized crystal surface energy regulation strategy has been innovatively developed by incorporating 0.5 mol% of N‐aminoethylpiperazine hydroiodide (NAPI) additive into α‐FAPbI3 crystal‐derived perovskite ink, which enabled the formation of phase‐pure, highly‐oriented α‐FAPbI3 films. We deciphered the phase transformation mechanisms and crystallization kinetics of blade‐coated α‐FAPbI3 perovskite films via combining a series of in‐situ characterizations. Interestingly, the strong chemical interactions between the NAPI and inorganic Pb‐I framework help to reduce the surface energy of (100) crystal plane by 42%, retard the crystallization rate and lower the formation energy of α‐FAPbI3. The resultant blade‐coated inverted PSCs based on (100)‐oriented α‐FAPbI3 perovskite films realized promising efficiencies up to 24.16% (~26.5% higher than that of the randomly‐oriented counterparts), accompanied by improved operational stability. This result represented one of the best performances reported to date for FAPbI3‐based inverted PSCs fabricated via scalable deposition methods.

Green synthesis of potent anticancer and antibacterial xanthene and chromene derivatives using agar as a catalyst: Molecular docking and in silico ADMET insights

This study presents an innovative green synthesis method for xanthene, benzoxanthene, and chromene derivatives using agar as a natural catalyst. Our method achieves high yields (up to 95%) with short reaction times (less than 1 hour) under environmentally friendly conditions and simple work-up procedures. The docking analysis conducted provides insights into the complex binding energies, molecular interactions, and hydrogen bond energies and distances. Molecular docking studies reveal strong chemical interactions with human serum albumin (HSA) and DNA gyrase, suggesting strong anticancer and antibacterial potential with binding energies ranging from -8.5 to -9.8 kcal/mol. In silico ADMET analysis and drug-likeness analysis confirm favorable pharmacokinetic properties, including high oral bioavailability and low toxicity. This work offers a sustainable and effective approach to developing new therapeutic agents.

Influence of inevitable iron precursor anions on MIL-100(Fe) structure and its La(Ⅲ) adsorption performance

The influence of iron precursor anions on the structure and properties of MIL-100(Fe) has often been overlooked. In this study, iron chloride hexahydrate and iron nitrate nonahydrate were used to synthesize MIL-100(Fe)-Cl and MIL-100(Fe)-N, respectively. Characterization comparisons revealed that MIL-100(Fe)-Cl exhibited a higher organic ligand content and a larger specific surface area. Subsequently, the adsorption properties of both materials for the rare-earth element lanthanum (La(Ⅲ)) were investigated. MIL-100(Fe)-Cl demonstrated superior La(Ⅲ) adsorption performance, with a maximum adsorption capacity of 54.7 mg·g−1, which is more than twice that of MIL-100(Fe)-N at 25.5 mg·g−1. The adsorption rate of MIL-100(Fe)-Cl for low-concentration La(Ⅲ) approached 100 % and sustained effective adsorption under weakly acidic conditions. The La(Ⅲ) adsorption processes on MIL-100(Fe)-Cl and MIL-100(Fe)-N were spontaneous and endothermic, involving both physisorption and chemisorption. Notably, a strong chemical interaction occurred during La(Ⅲ) adsorption by MIL-100(Fe)-Cl, whereas ion exchange was predominant in MIL-100(Fe)-N. Through further exploration of the adsorption mechanism via FT-IR and XPS characterizations, the main chemical active sites were the uncoordinated –COOH and terminal –OH groups of the Fe trimer. This study underscores the significant impact of different iron precursors on the synthesis of MIL-100(Fe), highlighting the need for careful selection of these materials in precursor choice.

High-Efficiency Adsorption of Uranium from Wastewater Using Graphene Oxide/Graphene Oxide Nanoribbons/Chitosan Nanocomposite Aerogels.

A chemical exfoliation and freeze-drying technique was used to create graphene oxide/graphene oxide nanoribbons/chitosan aerogels (GO/GONRs/CS). Aerogels were utilized to study uranium adsorption through batch experiments. Environmental influences on U(VI) adsorption were studied, including the starting concentration of U(VI), contact time, pH, and temperature. In order to characterize the composite, FTIR, SEM, XRD, and TEM analyses were used. A pseudo-second-order kinetic model may adequately represent the kinetics of U(VI) adsorption onto the surface of aerogels. The Freundlich model can explain the adsorption isotherm; the maximal adsorption capacity for U(VI) was determined to be 1208.85 mg/g; the adsorption process for U(VI) was endothermic, spontaneous, and pH-dependent; and the mechanism of adsorption is the chemisorption process. Chemisorption typically involves strong chemical interactions between the adsorbate (uranium ions) and the functional groups present on the surface of the adsorbent (the aerogel). Graphene oxide and graphene oxide nanoribbons contain oxygen-containing functional groups such as carboxyl (-COOH), hydroxyl (-OH), and epoxy (-O-) groups, which can act as active sites for chemical bonding. Chitosan, a polysaccharide derived from chitin, also possesses functional groups like amino (-NH2) and hydroxyl groups. Uranium ions, in their U(VI) form, can form chemical bonds with these functional groups through various mechanisms such as electrostatic interactions, complexation, and coordination bonds. The combination of graphene oxide-based materials and chitosan in the nanocomposite aerogel offers several advantages, including a large specific surface area, chemical stability, and the presence of functional groups for effective uranium adsorption.

Iron Nano Biocomposite-Infused Biopolymeric Films: A Multifunctional Approach for Robust Skin Repair.

Sodium alginate (SA) biopolymeric films have various limitations such as poor mechanical properties, high vapor permeability, lack of antibacterial activity, excessive burst release, and weak cell adhesion. To overcome these limitations, a strategy involving the integration of nanofillers into an SA film matrix is explored. In this context, a cost-effective iron-containing carbon nano biocomposite (FeCNB) nanofiller is developed using a solvent-free technique. This nanocomposite is successfully incorporated into the alginate film matrix at varying concentrations (0.05, 0.1, and 0.15%) aimed at enhancing its physicochemical and biological properties for biomedical applications. Characterization through FESEM and BET analyses confirms the porous nature of the FeCNB. EDX shows the FeCNB's uniform distribution upon its integration into the film matrix, albeit without strong chemical interaction with SA. Instead, hydrogen bonding interactions become apparent in the FTIR spectra. By incorporating the FeCNB, the mechanical attributes of the films are improved and the water vapor permeability approaches the desired range (2000-2500 g/m2day). The film's swelling ratio reduction contributes to a decrease in water permeability. The antibacterial activity and sustained release property of the FeCNB-incorporated film are established using tetracycline hydrochloride (TCl), a model drug. The drug release profile resembled Korsmeyer-Peppas's release pattern. In vitro assessments via the MTT assay and scratch assay on NIH-3T3 cells reveal that FeCNB has no adverse effects on the biocompatibility of alginate films. The cell proliferation and adhesion to the SA film are significantly enhanced after infusion of the FeCNB. The in vivo study performed on the rat model demonstrates improved wound healing by FeCNB-impregnated films. Based on the comprehensive findings, the proposed FeCNB-incorporated alginate films prove to be a promising candidate for robust skin repair.

Hf3C2O2 MXene: A promising NH3 gas sensor with high selectivity/sensitivity and fast recover time at room temperature

Owing to metallic conductivity, tunable surface chemistry, mechanical flexibility, high surface area and chemical stability, MXenes have emerged as promising candidates for room-temperature gas sensors. In this study, gas sensing performances of the newly synthesized Hf3C2 MXene with oxygen termination toward a wide range of common molecules (NH3, H2O, H2S, H2, CO2, CO, CH4, N2 and NO) were investigated by first-principles density functional calculations. With the most negative adsorption energy, the highest charge transfer and the shortest adsorption distance, the adsorption of NH3 among the investigated gases causes the most significant changes in electrical conductivity and work function of Hf3C2O2 substrate, thus holds the biggest gas response. Only the NH3 exhibits strong chemical interactions with Hf3C2O2, and other gas molecules are weakly chemisorbed or physisorbed. All these indicate that Hf3C2O2 exhibits high selectivity and sensitivity to NH3. The adsorption energy of NH3 falls within the appropriate range for room-temperature gas sensors, enabling Hf3C2O2 to maintain NH3 sensitivity while also achieving a fast recovery time. Furthermore, giving that human exhaled breath does not affect, and may even enhance, the selectivity and sensitivity of Hf3C2O2 towards NH3, Hf3C2O2 can serve effectively as an NH3 sensor in human disease detection.

Enhancing strength and ductility of extruded Ti-alloy-reinforced Al-Mg-Si composites: Roles of interface nanostructures and chemical bonding

A comprehensive understanding of interface nanostructures and chemical interactions is required for solving the strength-plasticity trade-off dilemma of Al/Ti composites. Continuously Ti-reinforced Al-matrix composites with superior strength and ductility are fabricated via a novel extrusion technique. The unique strain-hardening mechanism of the Al/Ti composite plates at low strains is attributed to the coupling effects of the strong interface constraint potency, the mechanical incompatibility between the soft Al and hard α-Ti, and a large elastic strain of hard α-Ti. Interlocking structures with atomic interdiffusion are observed at the Al/Ti interface. Mechanical and thermal effects induce lattice distortion and atomic superdiffusion, thus resulting in an interfacial intermixing zone with substantial dislocations and misfit strain. These characteristics produce a strong interface constraint effect during tensile, causing superior strain/dislocation hardening and uniform plasticity. Nanoclusters with cubic structures and dispersed dislocations are detected in the three-dimensional (3D) atomic intermixing zone at the Al/TiAl3 interface, accompanied by the aggregation of Mg. The nanostructures with numerous dislocations in the 3D Ti/TiAl3 transition zone feature lattices with partially tetragonal structures and ordered Ti-Al(Si) clusters. Ab initio calculations indicate that the strong chemical interaction between Si and Ti atoms not only improves the interface bonding strength, but also disturbs the lattices and broadens the transition zone. Moreover, the 3D interface transition zones, accompanied by dispersed dislocations, improve the interface constraint potency and hardening capability of the annealed Al/Ti composite plate. This work sheds light on the capability of the extrusion technique to produce fiber-reinforced Al-matrix composites with superior mechanical properties and provides new strategies for improving the chemical bonding strength and interface constraint effect via the interface invasion of specific elements.