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Transient absorption (TA) spectroscopy is one of the most popular experimental methods to measure the excited state lifetimes and charge carrier recombination mechanisms in two dimensional (2D) semiconductors. This fundamental information is essential for designing and optimizing the next generation of ultrathin and lightweight 2D semiconductor-based optoelectronic devices. However, the interpretation of TA spectroscopy data varies across the community. The community lacks a unifying physical explanation for how and why experimental variables such as incident light intensity, sample-substrate interactions, and/or applied bias affect TA spectral data. This Perspective (1) compares the physical chemistry TA literature to nanomaterial physics literature from a historical perspective, (2) reviews multiple physical explanations that the TA community developed to explain spectral features and experimental trends, (3) provides a unifying explanation for how and why trions—and, more generally, Fermi polarons—contribute to TA spectra, and (4) quantifies the extent to which various physical interpretations and data analysis procedures yield different timescales and mechanisms for the same set of experimental results. We highlight the importance of considering trions/Fermi polarons in TA measurements and their implications for advancing our understanding of 2D material properties. [ABSTRACT FROM AUTHOR]

Point Group (PG) symmetries play a fundamental role in many aspects of theoretical chemistry and computational materials science. With the objective to automatize the search of PG symmetry operations of generic atomic clusters, we present a new algorithm called Symmetry Operation FInder (SOFI). SOFI addresses the problem of identifying PG symmetry by framing it as a degenerate shape-matching problem, where the multiple solutions correspond to distinct symmetry operations. The developed algorithm is compared against three other algorithms dedicated to PG identification on a large set of atomic clusters. The results, along with some illustrative use cases, showcase the effectiveness of SOFI. The SOFI algorithm is released as part of the iterative rotations and assignments library, accessible at https://github.com/mammasmias/IterativeRotationsAssignments. [ABSTRACT FROM AUTHOR]

Simulations of photochemical reaction dynamics have been a challenge to the theoretical chemistry community for some time. In an effort to determine the predictive character of current approaches, we predict the results of an upcoming ultrafast diffraction experiment on the photodynamics of cyclobutanone after excitation to the lowest lying Rydberg state (S2). A picosecond of nonadiabatic dynamics is described with ab initio multiple spawning. We use both time dependent density functional theory (TDDFT) and equation-of-motion coupled cluster singles and doubles (EOM-CCSD) theory for the underlying electronic structure theory. We find that the lifetime of the S2 state is more than a picosecond (with both TDDFT and EOM-CCSD). The predicted ultrafast electron diffraction spectrum exhibits numerous structural features, but weak time dependence over the course of the simulations. [ABSTRACT FROM AUTHOR]

Reaction rate theory has been at the center of physical chemistry for well over one hundred years. The evolution of the theory is not only of historical interest. Reliable and accurate computation of reaction rates remains a challenge to this very day, especially in view of the development of quantum chemistry methods, which predict the relevant force fields. It is still not possible to compute the numerically exact rate on the fly when the system has more than at most a few dozen anharmonic degrees of freedom, so one must consider various approximate methods, not only from the practical point of view of constructing numerical algorithms but also on conceptual and formal levels. In this Perspective, I present some of the recent analytical results concerning leading order terms in an ℏ2m series expansion of the exact rate and their implications on various approximate theories. A second aspect has to do with the crossover temperature between tunneling and thermal activation. Using a uniform semiclassical transmission probability rather than the "primitive" semiclassical theory leads to the conclusion that there is no divergence problem associated with a "crossover temperature." If one defines a semiclassical crossover temperature as the point at which the tunneling energy of the instanton equals the barrier height, then it is a factor of two higher than its previous estimate based on the "primitive" semiclassical approximation. In the low temperature tunneling regime, the uniform semiclassical theory as well as the "primitive" semiclassical theory were based on the classical Euclidean action of a periodic orbit on the inverted potential. The uniform semiclassical theory wrongly predicts that the "half-point," which is the energy at which the transmission probability equals 1/2, for any barrier potential, is always the barrier energy. We describe here how augmenting the Euclidean action with constant terms of order ℏ2 can significantly improve the accuracy of the semiclassical theory and correct this deficiency. This also leads to a deep connection with and improvement of vibrational perturbation theory. The uniform semiclassical theory also enables an extension of the quantum version of Kramers' turnover theory to temperatures below the "crossover temperature." The implications of these recent advances on various approximate methods used to date are discussed at length, leading to the conclusion that reaction rate theory will continue to challenge us both on conceptual and practical levels for years to come. [ABSTRACT FROM AUTHOR]

Purpose: To analyze the effectiveness of coating of abutments with antimicrobial agents and their influence on the physicochemical and biologic properties of the coated materials. Materials and Methods: This work was registered in Open Science Framework (osf.io/6tkcp) and followed the PRISMA protocols. A search of two independent reviewers of articles published up to October 29, 2021, was performed in the Embase, PubMed, Science Direct, and Scopus databases. Results: The databases found a total of 1,474 references. After excluding the duplicates, 1,050 remained. After reading the titles and abstracts and applying the inclusion criteria, 13 articles remained and were read in full. A total of 8 articles were included in this systematic review. Different antimicrobial agents have been used to coat abutments, including graphene oxide, polydopamine, titanium and zirconium nitride, lactoferrin, tetracycline, silver, and doxycycline with varied release times. Titanium-coated silver showed a better antimicrobial agent release time of up to 28 days. Chemical analysis confirmed the presence of antimicrobials on the surface after coating. Different pathogenic microorganisms, such as Streptococcus sanguinis, Streptococcus oralis, and Staphylococcus aureus, were inhibited when in contact with the coated surface. Conclusions: This review showed that there is still no consensus on which is the better antimicrobial agent and which coated materials have the better performance. However, the association of surface coating of abutments with antimicrobials is feasible and can benefit many patients, which can support their clinical use to favor the healing process and prevent infections that can lead to treatment failure with dental implants. [ABSTRACT FROM AUTHOR]

Despite the wide existence of vesicles in living cells as well as their important applications like drug delivery, the underlying mechanism of vesicle fusion/fission remains under debate. Classical models cannot fully explain recent observations in experiments and simulations. Here, we develop a constrained self-consistent field theory that allows tracking the shape evolution and free energy as a function of center-of-mass separation distance. Fusion and fission are described in a unified framework. Both the kinetic pathway and the mechanical response can be simultaneously captured. By taking vesicles formed by polyelectrolytes as a model system, we predict discontinuous transitions between the three morphologies: parent vesicle with a single cavity, hemifission/hemifusion, and two separated child vesicles, as a result of breaking topological isomorphism. With the increase in inter-vesicle repulsion, we observe a great reduction in the cleavage energy, indicating that vesicle fission can be achieved without hemifission, in good agreement with simulation results. The force–extension relationship elucidates typical plasticity for separating two vesicles. The super extensibility in the mechanical response of vesicle is in stark contrast to soft particles with other morphologies, such as cylinder and sphere. Our work elucidates the fundamental physical chemistry based on intrinsic topological features of vesicle fusion/fission, which provides insights into various phenomena observed in experiments and simulations. [ABSTRACT FROM AUTHOR]

The on-demand assembly of 2D heterostructures has brought about both novel interfacial physical chemistry and optoelectronic applications; however, existing studies rarely focus on the complementary part—the 2D cavity, which is a new-born area with unprecedented opportunities. In this study, we have investigated the electric field inside a spacer-free 2D cavity consisting of a monolayer semiconductor and a gold film substrate. We have directly captured the built-in electric field crossing a blinking 2D cavity using a Kelvin probe force microscopy–Raman system. The simultaneously recorded morphology (M), electric field (E), and optical spectroscopy (O) mapping profile unambiguously reveals dynamical fluctuations of the interfacial electric field under a constant cavity height. Moreover, we have also prepared non-blinking 2D cavities and analyzed the gap-dependent electric field evolution with a gradual heating procedure, which further enhances the maximum electric field exceeding 109 V/m. Our work has revealed substantial insights into the built-in electric field within a 2D cavity, which will benefit adventures in electric-field-dependent interfacial sciences and future applications of 2D chemical nanoreactors. [ABSTRACT FROM AUTHOR]

The solvent effects on the linear and second-order nonlinear optical properties of an aminonaphtylethenylpyridinium (ANEP) dye are investigated by combining experimental and theoretical chemistry methods. On the one hand, deep near infrared (NIR) hyper-Rayleigh scattering (HRS) measurements (1840–1950 nm) are performed on solutions of di-8-ANEPPS in deuterated chloroform, dimethylformamide, and dimethylsulfoxide to determine their first hyperpolarizablity (βHRS). For the first time, these HRS experiments are carried out in the picosecond regime in the deep NIR with very moderate (≤3 mW) average input power, providing a good signal-to-noise ratio and avoiding solvent thermal effects. Moreover, the frequency dispersion of βHRS is investigated for Disperse Red 1 (DR1), a dye commonly used as HRS external reference. On the other hand, these are compared with computational chemistry results obtained by using a sequential molecular dynamics (MD) then quantum mechanics (QM) approach. The MD method allows accounting for the dynamical nature of the molecular structures. Then, the QM part is based on TDDFT/M06-2X/6-311+G* calculations using solvation models ranging from continuum to discrete ones. Measurements report a decrease of the βHRS of di-8-ANEPPS in more polar solvents and these effects are reproduced by the different solvation models. For di-8-ANEPPS and DR1, comparisons show that the use of a hybrid solvation model, combining the description of the solvent molecules around the probe by point charges with a continuum model, already achieves quasi quantitative agreement with experiment. These results are further improved by using a polarizable embedding that includes the atomic polarizabilities in the solvent description. [ABSTRACT FROM AUTHOR]

A nanoemulsion was fabricated from Cananga odorata essential oil (EO) and stabilized by incorporation of Tween 80 using ultrasonication. The major constituents of the EO were benzyl benzoate, linalool, and phenylmethyl ester. Differing sonication amplitude (20–60%) and time (2–10 min) were assessed for effects on nanoemulsion droplet size and polydispersity index (PI). The smallest droplet size of 43.98 nm (PI 0.222) was obtained using 40% amplitude for 8 min; this nanoemulsion was evaluated for its droplet characteristics and pre-emergence herbicidal activities on Amaranthus tricolor. FT-IR confirmed ultrasonic emulsification to not affect the EO components. Regarding stability, storage at 4 °C was determined appropriate, with droplet size changing slightly after five weeks. Assays of herbicidal potential showed the coarse emulsion and nanoemulsion to both reduce A. tricolor germination and growth, with the nanoemulsion being more effective at a given concentration and the difference in effectivity correlating to droplet size. Remarkably, treatment with 250 ppm nanoemulsion and coarse emulsion respectively resulted in 100% and 63.75% germination inhibition. Both emulsions decreased seed imbibition and alpha-amylase activity. The highest relative electrolyte leakage was achieved in seed treated with the nanoemulsion. Therefore, this ultrasonic-based nanoemulsion may have utility as bioherbicide alternative. [ABSTRACT FROM AUTHOR]

The current research aims to determine the impact of orange peel dye (OPD), an eco-friendly addition, on the optical properties of biodegradable polymers. This study investigates the enhancement of optical properties in solid electrolytes based on chitosan (CS) and glycerol, with varying OPD concentrations. UV–Vis-NIR spectroscopy revealed significantly enhanced UV–visible light absorption in the 200–500 nm region and effective UV light blocking. FTIR analysis showed strong interactions between OPDs and the CS matrix, with functional groups such as O–H, C=O, and C=C. UV–Visible spectroscopy indicated a reduction in the optical band gap from 5.11 eV in pure CS to 2.93 eV and 2.84 eV with increasing OPD concentrations, reflecting alterations in the electronic structure and enhanced sub-bandgap states. The refractive index improved from 1.31 in pure CS to 1.54 and 1.62 in the doped electrolytes, attributed to increased optical density and light-harvesting capability. Optical basicity also increased from 1.01 to 1.32, enhancing donor properties. These results suggest that OPD-doped CS solid electrolytes offer enhanced optical properties, making them suitable for optoelectronic and UV-blocking applications due to their tunable band gap, improved polarizability, and enhanced light interaction. [ABSTRACT FROM AUTHOR]

The magnetic material Nd2Fe14B is one of the strongest magnetic materials found in nature. The demand for the production of these nanoparticles is significantly high due to their exceptional properties. The aim of the present study is to synthesize magnetic nanoparticles of Nd2Fe14B using ethanol in the wet ball milling technique (WBMT). Nd2Fe14B powder an average particle size(APS) of 730 nm was subjected to wet ball milling in stainless steel cup containing 5 mm diameter steel balls.The powder was milled for 12 h at 400 rpm, with intervals of 15 min and a 15-second pause each time. The morphology of the powder and nanoparticles, crystallinity, changes of the samples under temperature, magnetic properties, and the structural bonds were analyzed using field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), thermogravimetric analysis (TGA), vibrating sample magnetometry (VSM), and Fourier-transform infrared spectroscopy (FTIR).The microstructural images revealed that the shape of the particles changed from flat(730 nm) to spherical(76 nm) after WBMT. The crystallinity results indicated a hexagonal crystal structure, with the average crystallite size being 17.1 nm. In the spectrum of the synthesized Nd2Fe14B nanoparticles, a peak appeared at a wavenumber of 803 cm−1, along with peaks at wavenumbers of 1037 cm−1 and 1083 cm−1, which are associated with the stretching vibrations of Nd-Fe, Fe-B, and Nd-B bonds, respectively. Numerical results of magnetic performance parameters indicated the ferromagnetic properties of the particles(HC = 6097.47, Mr = 34.65 and MS = 49.11).It appears that in WBMT, the operational parameters significantly affect the average crystallite size, saturation magnetization, as well as the size and shape of the nanoparticles. Additionally, the ferromagnetic nature of Nd2Fe14B in the hysteresis loop plays an important role in the thermal stability of the nanoparticles. [ABSTRACT FROM AUTHOR]

The composition of the metal-polymer friction pair is carefully considered for interacting with water and hydrogen, ensuring the metals electrode process potential remains below waters in a neutral medium. Simultaneously, adherence to defined chemical composition ratios for the metal-polymer materials is crucial. This analysis is conducted under conditions of thermal stabilization, characterized by a minimal temperature gradient across the rim thickness within an equivalent thermal field. Using the quasi-chemical approximation, the paper derives a concentration-dependent diffusion coefficient of hydrogen (H) in iron (Fe) across a broad spectrum. This derivation includes electronic and vibrational contributions to the chemical potential. The research establishes a correlation between the equivalent diffusion coefficient and the concentration of diffusing hydrogen atoms from the metal, such as the pulley or drum rim. These findings offer novel insights into optimizing hydrogen wear behaviour in brake friction couples, contributing to advancements in materials and design considerations in the automotive field. [ABSTRACT FROM AUTHOR]

Microtiter-plate-based systems are unified platforms of high-throughput experimentation (HTE). These polymeric devices are used worldwide on a daily basis—mainly in the pharmaceutical industry—for parallel syntheses, reaction optimization, various preclinical studies and high-throughput screening methods. Accordingly, laboratory automation today aims to handle these commercially available multiwell plates, making developments focused on their modifications a priority area of modern applied research. We performed the covalent functionalization of the porous PVDF-membrane of microtiter filter plates as the essence of conventional and common sandwich plate systems by introducing a generalizable method. After surface-activation of the indifferent membrane polymer, customizable functionalization becomes feasible by covalently attached monofunctional molecular linkers. The study was designed with future adaptability, and thus, industrially widespread atmospheric plasma and two different chemical treatments were investigated and compared in terms of practical implementation, polarization effects, extent of labeling, effects on morphology and porosity as well as on permeability. For critical comparison, contact angle measurements, surface ATR-FTIR, 1H-NMR, 19F-NMR, UV–Vis spectroscopy, scanning electron microscopy and permeability tests were used. [ABSTRACT FROM AUTHOR]

The high performance of two-dimensional (2D) channel membranes is generally achieved by preparing ultrathin or forming short channels with less tortuous transport through self-assembly of small flakes, demonstrating potential for highly efficient water desalination and purification, gas and ion separation, and organic solvent waste treatment. Here, we report the construction of vertical channels in graphene oxide (GO) membrane based on a substrate template with asymmetric pores. The membranes achieved water permeance of 2647 L m−2 h−1 bar−1 while still maintaining an ultrahigh rejection rate of 99.9% for heavy metal ions, which is superior to the state-of-the-art 2D membranes reported. Furthermore, the membranes exhibited excellent stability during long-term filtration experiments for at least 48 h, as well as resistance to ultrasonic treatment for over 100 minutes. The vertical channels possess very short pathway for almost direct water transport and a highly effective channel area, meanwhile the asymmetric porous template enhances the packing of the inserted GO nanosheets to avoid the swelling effect of membrane. Our work provides a simple way to fabricate vertical channels of 2D nanofiltration membranes with high water purification performance. The high performance of two-dimensional (2D) channel membranes is generally achieved by preparing ultrathin or forming short channels with less tortuous transport through self-assembly of small flakes. Here, the authors report the construction of vertical channels in graphene oxide membranes based on a substrate template with asymmetric pores demonstrating high flux and metal ion rejection. [ABSTRACT FROM AUTHOR]

Designing efficient Ruthenium-based catalysts as practical anodes is of critical importance in proton exchange membrane water electrolysis. Here, we develop a self-assembly technique to synthesize 1 nm-thick rutile-structured high-entropy oxides (RuIrFeCoCrO2) from naked metal ions assembly and oxidation at air-molten salt interface. The RuIrFeCoCrO2 requires an overpotential of 185 mV at 10 m A cm−2 and maintains the high activity for over 1000 h in an acidic electrolyte via the adsorption evolution mechanism. We discuss the role of each element in the RuIrFeCoCrO2 and find that the Cr, Co, and Ir sites contribute to the catalytic activity, while the Cr atoms weaken the Ru-O bond covalency and improves the catalyst stability. The assembled proton exchange membrane electrolyzer operates stably for more than 600 h at a large current of 1 A cm−2. The naked ion assembly demonstrated in this work may provide an effective pathway for the controlled synthesis of a diversity of high-entropy materials. Designing efficient ruthenium-based catalysts as practical anodes is important for proton exchange membrane electrolysis. Here, the authors report a self-assembly technique to synthesize atomically thin high-entropy oxides from the assembly of naked metal ions for hydrogen generation. [ABSTRACT FROM AUTHOR]

Palladium nanoparticles were supported on L-H-functionalized KIT-6 (KIT-6@L-H-Pd) and evaluated using various characterization techniques such as TGA, FT-IR, SEM, XRD, EDS, and BET. KIT-6@L-H-Pd showed excellent catalytic performance as a recyclable nanocatalyst for the oxidation of sulfides to sulfoxides and the amination of aryl halides. This approach offers multiple benefits, including the use of readily available and cost-effective materials, a straightforward procedure, short reaction durations, high yields, and a catalyst that is easy to separate and reuse. Additionally, the catalyst can be recovered and reused multiple times without significant palladium loss or alteration in its activity. [ABSTRACT FROM AUTHOR]

Keto-enol tautomerism in organic molecules presents a potential for modulating the charge transport at the nanoscale. The reduction of the isomerization barrier and favoring the highly conductive enol form are the main challenges towards practical implementation of this phenomenon. Using density functional theory calculations, we have demonstrated that pyridinic nitrogen in biphenyl molecules with keto-enol tautomerism can successfully make the conductive enol form energetically more favorable. This enhanced stability originates from the hydrogen bonding between the pyridinic nitrogen and the hydroxyl group in the enol state. The presence of the pyridinic unit further enhances the conductance of the enol form while reducing that of the keto form compared to the pristine molecule. The novelty of our findings lies in the use of pyridinic nitrogen to control isomerization through hydrogen bonding, offering a new approach to tuning electronic properties for molecular devices. These findings can be valuable in the development of functional molecular devices based on the keto-enol isomerization phenomenon. [ABSTRACT FROM AUTHOR]

Material selection and production conditions are imperative for determining the functional performances of composite materials. Phase-change composites obtained from phase-change materials (PCMs) and supporting matrices exhibit high thermal energy storage density. They are used to overcome the intermittency issues of wind and solar energy, as well as to reduce waste heat dissipation to the environment. However, the large-scale utilization of composite and pristine materials has severe drawbacks, primarily stemming from the complex fabrication routes of the encapsulating agents, leakage, and inadequate thermal stability. In this study, biochar-based phase-change composites were fabricated using vacuum infiltration techniques, and the effects of biomass feedstock and pyrolysis temperature on the performance of the composite were elucidated using different types of biowastes and temperatures. This approach has several advantages, including facile production techniques, low-cost carbon sources, and environmental friendliness. The PCM adsorption ratio of biochars derived from rice husk (RH) and Miscanthus straw linearly correlated with the pyrolysis temperature (550–700 °C), while RH700 resulted in a composite with a high enthalpy per unit mass of hexadecane (HXD) in RH700/HXD (250.9 J g−1) owing to the high surface area of RH700 (74.66 m2 g−1). The crystalline temperature increased slightly from 10.7 °C in RH550/HXD to 10.9 °C in RH700/HXD, suggesting improved molecular motion and crystal growth of HXD. Wheat straw biomass pyrolyzed at a low temperature (550 °C), displaying a reduced surface area at 700 °C (7.35 m2 g−1) and exhibiting the lowest energy storage density. The latent heat efficiency reached 99.5–100%, where RH700/HXD exhibited 100% efficiency. The composites demonstrated strong leakage resistance at high heating temperatures (60 °C, above the melting temperature of HXD), good chemical compatibility between the biochar and HXD, and high durability after 500 thermal cycles. Therefore, the extent of PCM loading and energy storage density improvements primarily depends on the pyrolysis conditions, feedstock used, and pore size distribution of the biochar samples. This research provides insights into the fabrication of phase-change composites and optimization of the carbonization process of different biomasses used for thermal management applications, such as building energy savings. Highlights: Different biochars were utilized to adsorb hexadecane and fabricate high-performance composite materials. Influence of feedstocks and pyrolysis temperature of biochar on thermal performance were investigated. Composites showed high enthalpy efficiency of 99.7–100% and durability after 500 thermal cycles. [ABSTRACT FROM AUTHOR]

Selective lithium recovery from a mixture of LFP-NMC spent lithium batteries presents significant challenges due to differing structures and elemental compositions of the batteries. These differences necessitate a distinct recycling pathway for each, complicating the process for the mixture. This study explored a carbothermal reduction approach combined with water leaching under atmospheric conditions to achieve a selective lithium recovery. For individual NMC black mass, at the optimal carbothermal conditions (950 °C, 15 °C/min, 2 h), lithium recovery of 95.7 ± 0.31% with 100% selectivity could be achieved. However, when the black mass was mixed with that of LFP in a 50:50 ratio, the recovery dropped to 9.78 ± 0.44%. Solid-state reactions during carbothermal process resulted in the formation of highly insoluble Li3PO4, and Fe-Ni-Co/Ni-Co alloys, which hinder lithium dissolution. To address these challenges, Na2CO3 was introduced as an additive to suppress Li3PO4. The addition of Na2CO3 to the 50:50 ratio of LFP-NMC black mass, increased lithium recovery to 59.47% with 100% selectivity. This enhancement was due to the stabilization of lithium as Li2CO3, a water-soluble compound. The results demonstrated that addition of Na2CO3 is a promising strategy for improving lithium recovery from mixed LFP-NMC batteries, providing a potential pathway for a more efficient recycling process. [ABSTRACT FROM AUTHOR]

Phototheranostic nanoplatforms that perform simultaneous optical imaging and phototherapy through light activation are considered a promising approach for early diagnosis, surgical guidance, and precision treatment of cancer. In this work, we develop a novel flower-like gap-enhanced Raman tags (for brief, PMF-GERTs) wrapped with polydopamine (PDA)-functionalized molybdenum disulfide (MoS2) nanosheets. In PMF-GERTs, 4,4′-biphenyldithiol (BPDT) Raman reporter molecules are embedded in the nanogap between the gold core and the flower-like shell, and PDA-functionalized MoS2 nanosheets (PDA/MoS2) were wrapped on the surface of the flower-shaped shell. Photothermal and photodynamic experiments show that PDA/MoS2 nanosheets significantly improve the photothermal performance and photodynamic response ability of Raman tags in the NIR-II region. Under the irradiation of 1064 nm laser (1 W/cm2), the PMF-GERTs solution can heat up to 66 °C within 300 s, and the photothermal conversion efficiency reaches 43.6%. Moreover, PMF-GERT also has excellent photothermal stability and photodynamic properties and can perform effective phototherapy on 4T1 tumor cells. In Raman spectra and mapping imaging experiments, PMF-GERTs have strong enhanced Raman signals, lower detection thresholds and long-time physiological environment stability (72 h). In addition, PMF-GETRs also have excellent performance in simulating biological tissues and biological Raman mapping imaging. This novel Raman tag is expected to be used to develop phototheranostic nanoplatform that integrates Raman imaging diagnosis and photothermal and photodynamic therapy. [ABSTRACT FROM AUTHOR]

Nanocomposites consisting of conducting polymers and metal oxide are promising material in electrochemical energy storage. The design of nanostructure is regarded as an efficient strategy to improve electron and ion transfer. However, the construction of nanocomposites usually needs multistep reaction. Herein, a poly(3,4-ethylenedioxythiophene)-encapsulated iron oxide/carbon nanotube nanocomposite (Fe2O3/CNTs@PEDOT) is demonstrated as an efficient anode for aqueous supercapacitors. The Fe2O3/CNTs nanocomposite is firstly constructed by a rapid combustion strategy, which provided electrode a good hydrophilic ability. The PEDOT is further in situ constructed on the surface of Fe2O3/CNTs by an electrochemical polymerization process for enhancing the cycling stability. The Fe2O3/CNTs@PEDOT electrode delivers an enhanced ions transfer and stability during the charge/discharge process. In 1 M Na2SO4, such Fe2O3/CNTs@PEDOT-180 s electrode delivers a specific capacitance of 1014 mF cm−2 at 2 mA cm−2 and retains 89.7% of initial capacitance at 20 mA cm−2 after 3000 cycles, which is superior than that of the Fe2O3/CNTs electrode (79.2%). The asymmetric aqueous supercapacitor consisted of Fe2O3/CNTs@PEDOT and MnO2/CC electrodes with an operating potential of 2.0 V reaches a high areal energy density of 0.207 mWh cm−2 at a power density of 2.0 mW cm−2. [ABSTRACT FROM AUTHOR]

Magnesium tartrate (Mg-TA) is a green, nontoxic, sustainable and dense organic–inorganic hybrid material. In this study, three Mg-TA crystals were prepared under mild conditions using a low-cost magnesium source of MgCl2·6H2O. A series of yellow Mg-TA derivatives were obtained by pyrolyzing the Mg-TA crystals under an air atmosphere. The thermal decomposition of Mg-TA is a multistep process that results in the formation of a dicarbonyl compound with a yellow colouration. Initially, the loss of water of crystallization occurs, which does not result in any change in colour. As the temperature continues to rise, the colour begins to turn yellow and deepens. Finally, MgO is formed at approximately 400 °C. In comparison to racemic Mg-TA, chiral Mg-TA exhibits a narrower range of colour change temperatures, and a similar conclusion was reached for the tartrates of different cationic Ca2+. Only one yellow product (Mg (d,l-TA)250) resulting from the thermal decomposition of racemic Mg-TA could be completely dissolved in water. It is anticipated that this new colourant would be utilized as a green, environmentally friendly alternative to traditional toxic yellow colourants in the preparation of a variety of yellow materials. The generation mechanism and chemical structures of the yellow derivatives have been elucidated through Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, UV–Vis spectrophotometer and 1H&13C NMR spectroscopy. [ABSTRACT FROM AUTHOR]

With advancements in renewable energy and the swift expansion of the electric vehicle sector, lithium-ion capacitors (LICs) are recognized as energy storage devices that merge the high power density of supercapacitors with the high energy density of lithium-ion batteries, offering broad application potential across various fields. This paper initially presents an overview of the developmental history, energy storage mechanisms, and classifications of LICs. It then concentrates on the latest advancements in anode and cathode materials for LICs, systematically reviewing strategies for optimizing electrochemical performance through microstructure adjustment, elemental doping, and the use of composite materials. Furthermore, it delves into the recent progress in the electrolyte system of LICs and prelithiation technologies, examining the features of different electrolyte systems and detailing various prelithiation approaches along with their merits and drawbacks. In conclusion, this paper summarizes and anticipates the current research trends in LICs, offering new perspectives and directions for future investigations. [ABSTRACT FROM AUTHOR]

This study aims to produce a micro-arc oxidation (MAO) layer of TiO2 on commercially pure titanium (CP-Ti) and analyze the influence of heat treatment temperatures in the air to promote thermal oxidation and in a vacuum to prevent oxidation. The results showed that the MAO coating is amorphous and constituted by TiO2 as anatase and rutile. The increase in heat treatment temperature (600–1200 °C) promoted the formation of rutile, an increase in surface roughness, but decreased the contact angle and pore size. In the condition subjected to heat treatment in vacuum, there is also a decrease in the thickness of the layer due to atomic diffusion (13 → ~ 0 μm). On the other hand, the heat treatment out of vacuum oxidized the CP-Ti MAO surfaces, increasing the oxide thickness as the temperature increased (9 → 325 μm). The increased hardness of CP-Ti at the metal/oxide interface was high due to the incorporation of oxygen in solid solution, which acts as a hardening agent. The MAO coating acts as an effective protective layer of the metal substrate against thermal oxidation. [ABSTRACT FROM AUTHOR]

Polyether electrolytes have been widely recognized for their favorable compatibility with lithium-metal, yet they are hampered by intrinsically low oxidation thresholds, limiting their potential for realizing high-energy Li-metal batteries. Here, we report a general approach involving the bridge joints between non-lithium metal ions and ethereal oxygen, which significantly enhances the oxidation stability of various polyether electrolyte systems. To demonstrate the feasibility of the ion-bridging strategy, a Zn2+ ion-bridged polyether electrolyte (Zn-IBPE) with an extending electrochemical stability window of over 5 V is prepared, which enables good cyclability in 4.5 V Li||LiCoO2 batteries. Ampere-hour-level quasi-solid-state batteries of SiO-graphite||LiNi0.8Mn0.1Co0.1O2 (10 Ah, N/P ratio of 1.12, 303 Wh kg−1 at 0.1 C based on the total weight of the pouch cells) and 60 μm-Li||LiNi0.9Mn0.05Co0.05O2 (18 Ah, N/P ratio of 2.5, 452 Wh kg−1 at 0.33 C based on the total weight of the pouch cells) pouch cells with Zn-IBPE present elevated electrochemical performance, benefiting from adequate interfacial stability. Nail penetration tests evidence high battery safety enabled by Zn-IBPE in 4 Ah graphite||LiNi0.8Mn0.1Co0.1O2 pouch cells without combustion or smoke. This work offers a pathway for designing high-voltage polymer electrolytes and a general solution for achieving high-performance quasi-solid-state batteries. The application of polyether electrolytes for Li-ion batteries is limited by their poor oxidative stability. Here, authors report an ion-bridging approach to extend their oxidation potential by stabilizing lone pairs of ethereal oxygen through Zn2+−O coordination. [ABSTRACT FROM AUTHOR]

This work intends to effectively remove methylene blue (MB) dye from wastewater using an agricultural waste-derived sorbent made from pyrolyzing rice straw to generate biochar. This is done while keeping the sustainability idea in mind and tackling the crises arising from environmental contamination with dyes. The physicochemical scrutinization of the non-activated and the base-activated biochar materials showed that the materials have promising textural properties and surface functionalization, leading to high and fast capability to retrieve MB from aqueous solutions in alkaline conditions. The adsorption equilibrium for all the biochar was reached within a time span of 15 min, but 90 percent of the dye removed at equilibrium was already eliminated in less than 5 min. The behaviour of the equilibrium adsorption for the biochar materials was thoroughly assessed using Langmuir and Freundlich adsorption isotherms. Interestingly, the adsorption process for the base-activated biochar follows both Langmuir and Freundlich isotherms at higher pH. The base-activated biochar exhibited a maximum adsorption capacity of 129.87 mg/g at alkaline pH. The adsorption data analysis with various kinetic models revealed that the adsorption process follows a pseudo-second-order kinetics for all the biochar materials. The Gibbs free energy and activation energy studies clearly revealed the adsorption of MB on biochar to be spontaneous and physiosorption in nature. The adsorption mechanism of the fast and efficient removal of MB by the base-activated biochar involves electrostatic interactions, hydrogen bonding, n-π and π-π interactions. Overall, the base-activated biochar with higher and faster adsorption capacity in alkaline conditions is a promising low-cost bioadsorbent with a simple production process for the removal of cationic dyes from aqueous environments and practical dyeing wastewater purification. [ABSTRACT FROM AUTHOR]

The spray pyrolysis technique was utilized to prepare the ZnO nanoparticle-based photoanodes for dye-sensitized solar cells (DSSCs). The particle size in the range of 6–10 nm was synthesized by the sol–gel method using zinc acetate dihydrate ((CH3COO)2Zn.2H2O) and lithium hydroxide monohydrate (LiOH.H2O). In addition, a novel approach was introduced to synthesis ZnO porous nanostructures via solvo-thermal method. In this method, zinc acetate dihydrate and sodium dodecyl sulfate (SDS) (WAKO CO., LTD) utilized as precursors. The prepared ZnO nanoparticles were characterized by XRD, SEM, and TEM. Dye-sensitized solar cells (DSSCs) were prepared based on synthesized ZnO particle-based photoelectrode and studied their performance. DSSCs prepared based on commercially available ZnO nanoparticle (20 nm) based electrode exhibit a higher conversion efficiency 2.22% compared to 1.42% for mixed (Syn/comm (6:4)) materials. This suggests that commercially manufactured nanoparticles exhibit superior light harvesting and charge transport properties compared to smaller and mixed commercial powders. Further, the effect of thickness on efficiency of DSSCs also extensively investigated. The results reveal that the commercial material efficiency increases 2.2–3.5% with thickness from 12 to 17 µm, indicating better light capture at higher thicknesses. However, we observed that Syn/comm (6:4) material did not exhibit much difference at higher thickness that due to smaller-sized particles it may exhibited less porosity for dye adsorption more boundaries creates lack of connection between particles for electron transportation. However, at lower thickness flexible devices these combination material provide higher efficiency compared to commercially produced materials. Further, SDS-assisted ZnO porous structure material (P-ZnO) was synthesized and investigated electrode performance. The P-ZnO-based electrode cell demonstrated an enhanced efficiency of 4.92%, attributed to increased dye adsorption and efficient electron transfer facilitated by well-connected particles. [ABSTRACT FROM AUTHOR]

Inspired by counterintuitive water "swelling" ability of the hydrophobic moss of the genus Sphagnum (Peat moss), we prepared a hydrophobic pseudo-hydrogel (HPH), composed of a pure hydrophobic silicone elastomer with a tailored porous structure. In contrast to conventional hydrogels, HPH achieves absorption-induced volume expansion through surface tension induced elastocapillarity, presenting an unexpected absorption-induced volume expansion capability in hydrophobic matrices. We adopt a theoretical framework elucidating the interplay of surface tension induced elastocapillarity, providing insights into the absorption-induced volume expansion behavior. By systematically programming the pore structure, we demonstrate tunable, anisotropic, and programmable absorption-induced expansion. This leads to dedicated self-shaping transformations. Incorporating magnetic particles, we engineer HPH-based soft robots capable of swimming, rolling, and walking. This study demonstrates a unusual approach to achieve water-responsive behavior in hydrophobic materials, expanding the possibilities for programmable shape-morphing in soft materials and soft robotic applications. Shape-changing materials have potential in a range of applications, but these transformations can be challenging to control. Here, the authors report the hydrophobic pseudo-hydrogel, which utilizes absorption-induced expansion via elastocapillarity to enable versatile soft robotic applications. [ABSTRACT FROM AUTHOR]

To achieve the commercialization of organic solar cells (OSCs), it is crucial not only to enhance power conversion efficiency (PCE) but also to improve device stability through rational molecular design. Recently emerging giant molecular acceptor (GMA) materials offer various advantages, such as precise chemical structure, high molecular weight (beneficial to film stability under several external stress), and impressive device efficiency, making them a promising candidate. Here, we report a dendritic hexamer acceptor developed through a branch-connecting strategy, which overcomes the molecular weight bottleneck of GMAs and achieves a high production yield over 58%. The dendritic acceptor Six-IC exhibits modulated crystallinity and miscibility with the donor, thus better morphology performance compared to its monomer, DTC8. Its charge transport ability is further enhanced by additional channels between the armed units. Consequently, the binary OSCs based on D18:Six-IC achieves a cutting-edge efficiency of 19.4% for high-molecular weight acceptor based systems, as well as decent device stability and film ductility. This work reports high-performance OSCs based on dendritic molecule acceptor with a molecular weight exceeding 10000 g/mol and shares the understanding for designing comprehensively high-performing acceptor materials. The design of easily synthesized high molecular weight giant molecular acceptors is urgently needed. Here, the authors report a branch-connected dendritic hexamer acceptor that exhibits enhanced charge transport ability, achieving device efficiency of 19.4% for binary organic solar cells. [ABSTRACT FROM AUTHOR]

Zinc (Zn)-based batteries have been persistently challenged by the critical issue of inhomogeneous zinc deposition/stripping process on substrate surface. Herein, we reveal that zinc electrodeposition behaviors dramatically improved through the introduction of highly zincophilic copper oxide nanoparticles (CuO NPs). Strong electronic redistribution between Zn and CuO explains the high Zn affinity on CuO, with negligible nucleation overpotential. Additionally, CuO exhibits remarkable electron-accepting and -donating capabilities in electron-rich and electron-deficient environments, resembling a sponge. This 'Electron Sponge' effect emerges from stable Zn-O bonding in CuO, enhancing electron duality in the Zn-O bond region. This unique strategy is pivotal in mitigating dendritic growth, fostering dendrite-free zinc-based flow batteries with enhanced rate performance and cyclability. It presents significant performance with not only high energy density (180 Wh L−1) but also the long cycle stability (> 2500 cycles) at high current density (140 mA cm−2). Zinc-based batteries face inhomogeneous zinc deposition/stripping. Here the authors show zincophilic copper oxide nanoparticles enhance zinc electrodeposition by reducing nucleation overpotential through strong Zn-CuO interactions, preventing dendritic growth and improving the performance and cyclability of zinc-based flow batteries. [ABSTRACT FROM AUTHOR]

Photocatalytic conversion has emerged as a promising strategy for harnessing renewable solar energy in the valorization of plastic waste. However, research on the photocatalytic transformation of plastics into valuable nitrogen-containing chemicals remains limited. In this study, we present a visible-light-driven pathway for the conversion of polylactic acid (PLA) into alanine under mild conditions. This process is catalyzed by defect-engineered CdS nanocrystals synthesized at room temperature. We observe a distinctive volcano-shaped relationship between sulfur vacancy content in CdS and the corresponding alanine production rate reaching up to 4.95 mmol/g catalyst/h at 70 oC. Ultraviolet-visible, photocurrent, electrochemical impedance, transient absorption, photoluminescence, and Fourier-transform infrared spectroscopy collectively highlight the crucial role of sulfur vacancies. The surface vacancies serve as adsorption sites for lactic acid; however, an excessive number of vacancies can hinder charge transfer efficiency. Sulfur vacancy-rich CdS exhibits high stability with maintained performance and morphology over several runs, effectively converts real-life PLA products and shows potential in the amination of other polyesters. This work not only highlights a facile approach for fabricating defect-engineered catalysts but also presents a sustainable method for upcycling plastic waste into valuable chemicals. Photocatalysis offers a promising pathway to upcycle plastic waste. Here the authors demonstrate how defective cadmium sulfide photocatalysts can convert real-world polylactic acid into the amino acid alanine under visible light. [ABSTRACT FROM AUTHOR]

Mn2+ is an essential cation extensively utilized in various industrial processes, including electrolytic manganese production, manganese dioxide manufacturing, and zinc processing. It also poses significant environmental challenges as a primary pollutant in Mn-containing wastewater and hazardous materials. Effective monitoring and control of Mn2+ in these processes are vital for improving resource conversion efficiency and minimizing pollutant production. However, the direct determination of high concentrations of Mn2+ remains challenging due to rapid reactions, which impede improvements in cleaner industrial production. Traditional detection method like potassium periodate spectrophotometry (PPS) method is limited to low concentrations and involve complex processes that contribute to secondary pollution. In this study, we evaluated the performance of four alternative methods—External Standard Calibration (EC), Area Under the Curve (AUC), Standard Addition (SA), and Multi-Energy Calibration (MEC)—for determining high-concentration Mn²⁺. The study found that the weak absorption characteristic of aqueous Mn²⁺ due to spin-forbidden transitions is advantageous for direct determination at high concentrations in its original valence state. By optimizing the optical path and wavelength, concentrations up to 50 g/L were detected, surpassing the PPS upper limit by 5000 times. Among the methods, EC demonstrated superior accuracy and precision, with a performance rate of 98.07% and a relative standard deviation of less than 1%. The EC method's minimal time consumption and cost-effectiveness make it suitable for automation and integration into industrial systems for continuous, real-time monitoring. This research offers valuable insights into high-concentration Mn2+ determination using spectrophotometry, highlighting the EC method's potential for real-time monitoring and its adaptability for large-scale industrial operations. The findings provide a substantial reference for the direct detection of other industrial components, promoting more efficient and environmentally friendly industrial practice. [ABSTRACT FROM AUTHOR]

The interfacial molecular dipole enhances the photovoltaic performance of perovskite solar cells (PSCs) by facilitating improved charge extraction. However, conventional self-assembled monolayers (SAMs) face challenges like inadequate interface coverage and weak dipole interactions. Herein, we develop a strategy using a self-assembled ferroelectric layer to modify the interfacial properties of PSCs. Specifically, we employ 1-adamantanamine hydroiodide (ADAI) to establish robust chemical interactions and create a dipole layer over the perovskite. The oriented molecular packing and spontaneous polarity of ferroelectric ADAI generate a substantial interfacial dipole, adjusting band bending at the anode, reducing band misalignment, and suppressing charge recombination. Consequently, our formamidinium lead iodide-based conventional PSC achieves efficiencies of 25.13% (0.06 cm2) and 23.5% (1.00 cm2) while exhibiting enhanced stability. Notably, we demonstrate an impressive efficiency of 25.59% (certified at 25.36%) in a 0.06 cm2 area for the inverted champion device, showcasing the promise of ferroelectric SAMs for PSCs performance enhancement. The conventional approach with applying self-assembled monolayer suffers from limited interface coverage and weaker dipole interactions. Here, authors employ ferroelectric molecule to construct a dipole layer, achieving certified efficiency of 25.36% for inverted perovskite solar cells. [ABSTRACT FROM AUTHOR]

In this study, we introduce a highly effective non-metallic iodine single-atom catalyst (SAC), referred to as I-NC, which is strategically confined within a nitrogen-doped carbon (NC) scaffold. This configuration features a distinctive C-I coordination that optimizes the electronic structure of the nitrogen-adjacent carbon sites. As a result, this arrangement enhances electron transfer from peroxymonosulfate (PMS) to the active sites, particularly the electron-deficient carbon. This electron transfer is followed by a deprotonation process that generates the peroxymonosulfate radical (SO5•−). Subsequently, the SO5•− radical undergoes a disproportionation reaction, leading to the production of singlet oxygen (1O2). Furthermore, the energy barrier for the rate-limiting step of SO5•− generation in I-NC is significantly lower at 1.45 eV, compared to 1.65 eV in the NC scaffold. This reduction in energy barrier effectively overcomes kinetic obstacles, thereby facilitating an enhanced generation of 1O2. Consequently, the I-NC catalyst exhibits remarkable catalytic efficiency and unmatched reactivity for PMS activation. This leads to a significantly accelerated degradation of pollutants, evidenced by a relatively high observed kinetic rate constant (kobs ~ 0.436 min−1) compared to other metallic SACs. This study offers valuable insights into the rational design of effective non-metallic SACs, showcasing their promising potential for Fenton-like reactions in water treatment applications. Electronic structure modulation of active sites is important for Fenton-like catalysis. A non-metallic iodine single-atom catalyst with C-I coordination is reported here, which can effectively activate peroxymonosulfate into 1O2 for water treatment. [ABSTRACT FROM AUTHOR]

The diverse utility of acyclic vinylsilanes has driven the interest in the synthesis of enantioenriched vinylsilanes bearing a Si-stereogenic center. However, the predominant approaches for catalytic asymmetric generation of Si-stereogenic vinylsilanes have mainly relied on transition metal-catalyzed reactions of alkynes with different silicon sources. Here we successfully realize the enantioselective synthesis of linear silicon-stereogenic vinylsilanes with good yields and enantiomeric ratios from simple alkenes under rhodium catalysis. The significance of this transformation lies in its ability to achieve regioconvergent and enantioconvergent conversion, efficiently transforming petroleum-derived isomeric mixtures of olefin feedstocks into a single regio- and stereoisomer product. The practicality of this method is further exemplified by the diverse downstream transformations of these enantioenriched silicon-stereogenic vinylsilanes leveraging the olefin functionality and the leaving group nature of the aryl substituent on silicon as well as the development of chiral π-conjugated double bond systems. The enantioselective synthesis of silicon-stereogenic vinylsilanes from simple alkenes remains underexplored. Here the authors report the enantioselective method from simple alkenes to yield linear silicon-stereogenic vinylsilanes with good yields and enantiomeric ratios under rhodium catalysis. [ABSTRACT FROM AUTHOR]

The growing global demand for freshwater necessitates advanced water treatment technologies. This review highlights the application of fibrous silica spheres, KCC-1, in water remediation, focusing on the removal of heavy metals and organic dyes. KCC-1's unique fibrous morphology, high surface area, and physicochemical properties make it a promising adsorbent. This work examines its synthesis, modifications, and advantages, providing insights into optimizing KCC-1-based adsorbents for sustainable water treatment. [ABSTRACT FROM AUTHOR]

The utilization of waste resources to synthesize functional materials is crucial for achieving environmentally sustainable development. In this context, the current investigation aims to develop a new material using waste chicken and camel bones as adsorbents for the removal of Pb2+ and Cd2 from polluted water. The Hydroxyapatite (HA) adsorbents of chicken (HB) and camel (CB) bones were prepared via chemical treatment with NaOH, HNO3, H2O2, and ethanol, and also those followed by carbonization. The physicochemical and microscopic characteristics of the adsorbents were analyzed via SEM, XRD, FT-IR, and BET surface area analyses. Adsorption studies of Pb2+ and Cd2+ were performed in a batch style that included initial metal concentration, pH, pHpzc, solution temperature, contact time, and adsorbent dose. The results revealed that the bone chemically activated with 0.1 M NaOH had greater adsorption of Cd2+ ion (99.7% for HB and 99.89% for CB) and Pb2+ ions (99.85% for HB and 99.79% for CB) than the other activators did. Adsorption isotherms, adsorption kinetics, and thermodynamic models have been used to confirm the fit conditions that improve the adsorption technique. Maximum adsorption removal percentages for Pb2+ and Cd2+ were obtained under constant operation conditions (initial metal concentration 10 ppm, pH 6, adsorbent dose 0.05 g, contact time 30 min and solution temperature 328 K. Adsorption of Pb2+ and Cd2+ obeyed a pseudo-second-order model and fit well with the Langmuir isotherm.The metals adsorption using the prepared adsorbent was a spontaneous and exothermic process. Overall, the prepared adsorbents from chicken and camel bone waste are highly effective and promising as low-cost materials for the remediation of heavy metals-contaminated waters. Article highlights: Low cost hydroxyapatite adsorbents were prepared from chicken and camel bone waste by chemical activation. The prepared adsorbent was used for the removal of Pb and Cd from wastewater. The chemically activated adsorbent with 0.1 M NaOH reveals higher Pb and Cd adsorption [ABSTRACT FROM AUTHOR]

Lone pairs are widely prevalent in various types of molecules and have a significant impact on the band structure, carrier transport, and dielectric response, which are the key factors for exploring the underlying mechanism of phenomena in opto-spintronics. In this work, nitrogen substitutions with nonequivalent hybridization are adopted to obtain different types of organic charge transfer crystals, where lone pairs are generated to weaken the interactions between donors and acceptors, resulting in a blueshift in photoluminescence and a weaker electron-lattice coupling. Moreover, lone pairs could further strengthen the ability to transfer energy and spin angular momentum to the lattice vibration to enhance spin resonance. Additionally, due to the effect of lone pairs, the spin density inside the crystals is redistributed to tune the transition between the singlet and triplet states. Overall, crystals with lone pairs demonstrate a more diverse set of magnetic, optical, and spin-related properties. Lone pairs are essential for exploring the mechanism behind the phenomena in the areas of opto-spintronics. In this paper, the effect of lone pairs on spin resonance and magnetic properties was studied. Using donors with different nitrogen substitutions, three charge transfer crystals were fabricated. In cocrystals, lone pairs could enlarge the distance between donors and acceptors, leading to the shorten of lifetime and the decrease of dielectric constant. Moreover, lone pairs possess the ability to enhance spin-lattice interactions, enabling the three crystals to display diverse and intriguing behaviors under light and magnetic fields, such as light-dependent electron spin resonance. [ABSTRACT FROM AUTHOR]

Transition metal chalcogenides (TMCs) are promising electrode materials for supercapacitors because of their improved reversibility, cost-effectiveness, stability, and ability to display diverse oxidation states. Here, we report the synthesis of a composite material, ZnS@CNT, composed of zinc sulfide (ZnS) nanoparticles embedded within carbon nanotubes (CNTs), via one-pot hydrothermal synthesis followed by calcination. The fabricated asymmetric supercapacitor device (ZnS@CNT//AC ASC) delivered a capacitance of 213.9 F g−1, with specific energy and power of 43.3 Wh kg−1 and 6.8 kW kg−1, respectively, by using 2 M KOH as the electrolyte. After 5,000 operational cycles, the device maintained a remarkable capacity retention of 91.79%, highlighting the potential of ZnS@CNT-based ASC devices for future supercapacitor technology. [ABSTRACT FROM AUTHOR]

The growing concerns over the environmental impact and resource limitations of lithium-ion batteries (LIBs) have driven the exploration of alternative energy storage technologies. Sodium-ion batteries (SIBs) have emerged as a promising candidate due to their reliance on earth-abundant materials, lower cost, and compatibility with existing LIB manufacturing infrastructure. This review explores the recent SIB cathode and anode materials advancements, highlighting the electrochemical properties, structural stability, and potential for large-scale applications. Key cathode materials, such as layered transition metal oxides, polyanionic compounds, and Prussian blue analogs, are analyzed for capacity, stability, and improvement strategies. Challenges in anode development, particularly with hard carbon and alloy-based materials, are also discussed, as well as their performance in electric vehicles and grid storage. Overall, the findings underscore SIBs' potential as a sustainable and cost-effective alternative to LIBs, positioning them as a viable solution to meet the growing energy demands while mitigating environmental impact. [ABSTRACT FROM AUTHOR]

The applicability of layered transition-metal dichalcogenides (TMDs) for electrode application in lithium-ion batteries (LIBs) necessitates a fundamental understanding of the ion intercalation/de-intercalation mechanisms to identify the factors that affect the cycling stability and/or degradation behavior of the layers. This paper presents the results of an in-situ study of reactions between Li/Li2O and MoS2 inside the transmission electron microscope (TEM) with the basal plane in the edge-on orientation; this orientation makes it possible to examine directly the microstructural and microchemical changes that occur within the van der Waals (vdW) gaps. The experiments enable the characterization of the nanoscale defects that form in real-time as the Li moves into the gaps. Defects are observed to form along the c-planes of MoS2 during in-situ reaction with Li in the TEM. Energy-filtered TEM (EFTEM) analysis shows that these lines are rich in Li and poorer in Mo and S. Atomic-resolution TEM studies in an aberration-corrected TEM show the different stages of the microstructural evolution along these white-line defects. The formation of these defects during intercalation results in the degradation of the layers as cracks are observed to form at the interfaces between the defects and the matrix when external tensile stresses are applied. This cracking subsequently leads to exfoliation and the structural degradation of the intercalated material. These direct observations complemented by atomistic modeling raise several critical questions concerning the ion intercalation and de-intercalation mechanisms that need to be addressed to understand the factors that affect the safety and reliability of layered TMDs in LIBs. This paper is submitted as part of a special issue honoring the contributions of Kamanio Chattopadhyay to Materials Science and celebrating his 75th birthday. Prof. Chattopadhyay's distinguished career included research on metastable materials, which may have much in common with the materials being studied here, and also served for several years as an Editor of the Journal of Materials Science. [ABSTRACT FROM AUTHOR]

Clean and efficient energy has become the foremost objective of human sustainable development. Hydrogen energy, recognized as a green and efficient energy source, has emerged as a focal point worldwide. So far, commonly used hydrogen storage methods pose safety concerns, such as compressing hydrogen into gas cylinders with high-pressure and extremely low-temperature liquefaction. Therefore, the solid hydrogen storage method has received significant attention. 2D materials seek more attention than other solid-state materials due to their astonishing properties, such as wide surface area, layered morphology, magnificent electrical properties, high thermal stability, and tunable interlayer spacing. These outstanding properties make 2D materials a wonderland for hydrogen storage. Many emerging 2D materials have not been explored experimentally but theoretically reveal impactful results for hydrogen storage. To the best of our knowledge, there is no comprehensive review article on 2D materials for hydrogen storage applications. This article presents a comprehensive review of the various 2D materials used for hydrogen storage, such as graphene, MXene, h-BN, borophene, phosphorene, TMDs, aluminene, silicene, etc. The various parameters which influence the hydrogen storage profile of the 2D materials are also discussed. Ultimately, the current significant challenges and future research directions are addressed insightfully to make 2D materials viable for hydrogen storage-based technologies. [ABSTRACT FROM AUTHOR]

This study investigates the adsorption of Brilliant Green (BG) dye onto biochar derived from Syzygium cumini (Jamun) leaves (JLB). Biochar was produced via pyrolysis at 800 °C and examined employing various methods, including Scanning electron microscopy (SEM–EDX), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) analysis, Raman spectroscopy, Zeta potential and X-ray photoelectron spectroscopy (XPS). The optimum parameters for BG dye adsorption, determined by batch adsorption studies, were a temperature of 80 °C, an initial dye concentration of 500 mg L−1, a contact period of 30 min, and an agitation speed of 400 RPM. The maximum adsorption capacity of JLB for BG was 243.90 mg g−1. It was found that the adsorption process adhered to the Freundlich isotherm model and pseudo-second-order kinetics, revealing heterogeneous adsorption with chemisorption. A novel "Theory of Pore Conflation" was proposed to explain enhanced adsorption at higher temperatures, supported by SEM and FTIR analyses. Additionally, a new equation termed "Shubhjyot's equation" was introduced to account for time dependency in adsorption capacity calculations. The thermodynamic analysis demonstrated that the process is endothermic and spontaneous. Isopropanol was the most effective organic solvent for desorption studies, demonstrating biochar regeneration potential for up to five cycles. Phytotoxicity and cyto-genotoxicity assessments demonstrated the environmental safety of JLB compared to BG dye. The use of JLB production offers a way to repurpose agricultural waste, contributing to circular economy principles. This extensive study demonstrates JLB's promise as an effective, economical, and environmentally safe adsorbent for wastewater treatment that eliminates textile dyes. Highlights: JLB demonstrated high qe (243.90 mg g−1) for BG dye removal from water. Optimal adsorption conditions were identified: 80 °C temperature, 500 mg L−1 initial dye concentration, 30 min contact time, 400 RPM agitation speed. A novel "Theory of Pore Conflation" was proposed to explain enhanced adsorption at high temperatures due to the merging of adjacent pores. "Shubhjyot's equation" was introduced to model time-dependent transient adsorption capacity. JLB showed good reusability over 5 adsorption–desorption cycles using isopropanol as eluent. Phytotoxicity and cytotoxicity studies confirmed JLB is environmentally safe compared to the BG dye. [ABSTRACT FROM AUTHOR]

The conversion of diluted CO₂ into high-energy fuels is increasingly central to renewable energy research. This study investigates the efficacy of a Gd₂NiMnO₆ dendritic nanofibrous (DNF) photocatalyst in transforming carbon dioxide to methane through photoreduction. Gd₂NiMnO₆ DNF was found to provide active adsorption sites and control the strand dimensions for metal groups, facilitating the chemical absorption of CO₂. The light-driven photoreduction of CO₂ to CH₄ through biomass valorization has become a sustainable focus area, with photocatalytic CO₂ reduction recognized as a key strategy to mitigate greenhouse gases and achieve carbon neutrality. However, designing active sites with enhanced selectivity and efficiency for CO₂ photoreduction remains challenging. Reducing carbon dioxide is especially crucial in the era of petroleum refineries. This work introduces a reusable, magnetically responsive nanocatalyst for the targeted light reduction of CO₂ to CH₄, utilizing eco-friendly methods, mild thermal conditions, ambient pressure, and sustainable dehydrating agents. This approach provides significant economic benefits and compatibility with functional groups, highlighting the potential of combining 3D nanoparticle structures with sustainable chemistry to create highly efficient catalytic systems for CO₂ to CH₄ conversion. [ABSTRACT FROM AUTHOR]

Vanadium dioxide (VO2) is a phase transition material that undergoes semiconductor-to-metal transition at the temperature of about 68 °C. This extraordinary feature triggered intensive research focused on the controlled synthesis of VO2. In this study, we introduce and investigate an original linker- and solvent-free strategy enabling the production of highly porous VO2 nanoparticle-based films. This technique combines a gas-phase synthesis of vanadium nanoparticles and their subsequent atmospheric pressure thermal oxidation. It is shown that the thermochromic behaviour of such produced nanomaterial is at the fixed oxidation temperature strongly dependent on the oxidation time. Concerning this, it was found that there exists an optimal oxidation time (60 s in our study) that assures the production of crystalline VO2 nanoparticles with the highest, reproducible and temporally stable semiconductor-to-metal transition with the resistive switching ratio close to 2 orders of magnitude and dramatic switching of optical properties in the near infra-red spectral region. [ABSTRACT FROM AUTHOR]

The development of wearable energy sto rage and harvesting devices is pivotal for advancing next-generation healthcare technologies, facilitating continuous and real-time health monitoring. Traditional wearable devices have been constricted by bulky and rigid batteries, limiting their practicality and comfort. However, recent advancements in materials science have enabled the creation of flexible, stretchable, and lightweight energy storage and harvesting solutions. The integration of energy storage and harvesting technologies is essential for developing self-sustaining systems that minimize reliance on external power sources and enhance device longevity. These integrated systems ensure the continuous operation of sensors and processors vital for real-time health monitoring. This review examines recent significant progress in wearable energy storage and harvesting, focusing on the latest advancements in wearable devices, solar cells, biofuel cells, triboelectric nanogenerators, magnetoelastic gene rators, supercapacitors, lithium-ion batteries, and zinc-ion batteries. It also discusses key parameters crucial for their wearable applications, such as energy density, power density, and durability. Finally, the review addresses future challenges and prospects in this rapidly evolving field, underscoring the potential for developing innovative, self-powered wearable systems for healthcare applications. Highlights: • The latest advancements in energy storage and harvesting systems for wearable healthcare devices are discussed. • Flexible supercapacitors, lithium-ion batteries, solar cells, TENGs and other devices are systematically introduced. • Factors influencing wearable energy devices including energy density, power density, and durability are analyzed. • Future perspectives in wearable energy systems are explored, particularly emphasis on the role of AI and LLMs. • Flexible and wearable energy storage and harvesting systems offer a promising path for healthcare applications. [ABSTRACT FROM AUTHOR]

Ethers are high value organic compounds widely applied in chemical industry, natural products, material, pharmaceuticals, argochemicals, as well as modern organic synthesis. Herein, we report an adaptive TFA-catalyzed cross-coupling of alcohols with various oxygen nucleophiles (nitro-, halogen-, sulfur-, nitrogen-, aryl-, and alkynyl-substituted aliphatic alcohols), delivering diverse unsymmetrical ethers under mild conditions and simple operation. This protocol features a broad range of substrate scope and high catalytic efficiency (54 examples, up to 99% yield). The decagram scale performance and one-step synthesis of drug molecules evidenced the potential industrial production and practicability of this protocol. [ABSTRACT FROM AUTHOR]

All-solid-state (ASS) batteries are a promising solution to achieve carbon neutrality. ASS lithium–sulfur (Li-S) batteries stand out due to their improved safety, achieved by replacing organic solvents, which are prone to leakage and fire, with solid electrolytes. In addition, these batteries offer the benefits of higher capacity and the absence of rare metals. However, the low electronic conductivity of sulfur poses a major challenge for ASS Li-S batteries. To address this challenge, sulfur is often combined with porous carbon. Despite this standard practice, the local structure of sulfur in these composites remains unclear. Based on small-angle X-ray scattering and pair distribution function analysis, we discovered that sulfur in carbon–sulfur composites formed via melt diffusion is amorphous and primarily comprises S8 ring-shaped structures. The carbon–sulfur composite demonstrated a high specific capacity of 1625 mAh g−1 (97% of the theoretical specific capacity of sulfur). This remarkable performance is attributed to the extensive contact area between carbon and sulfur, which results in an excellent interface formed through melt diffusion. The insights gained into the local structure of sulfur and the analytical approaches employed enhanced our understanding of electrochemical reactions in ASS Li-S batteries, thereby aiding in the optimization of material design. All-solid-state lithium–sulfur batteries demonstrate great promise for next-generation electrochemical energy storage, but the low electronic conductivity of sulfur poses a major challenge. Here, the authors analyze carbon–sulfur composites formed by melt diffusion and demonstrate that the enhanced contact between carbon and sulfur results in higher electronic conductivity and a high specific capacity for an all-solid-state lithium–sulfur cell. [ABSTRACT FROM AUTHOR]