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Thermophoresis has emerged as a powerful tool for characterizing and manipulating colloids at the nano- and micro-scales due to its sensitivity to colloid–solvent interactions. The use of surfactants enables the tailoring of surface chemistry on colloidal particles and the tuning of interfacial interactions. However, the microscopic mechanisms underlying thermophoresis in surfactant solutions remain poorly understood due to the complexity of multiscale interaction coupling. To achieve a more fundamental understanding of the roles of surfactants, we investigated the thermophoretic behavior of silica beads in both ionic and nonionic surfactant solutions at various background temperatures. We provide a complete mechanistic picture of the effects of surfactants on interfacial interactions through mode-coupling analysis of both electrophoretic and thermophoretic experiments. Our results demonstrate that silica thermophoresis is predominantly governed by the dissociation of silanol functional groups at silica–water interfaces in nonionic surfactant solutions, while in ionic surfactant solutions, the primary mechanism driving silica thermophoresis is the adsorption of ionic surfactants onto the silica surface. [ABSTRACT FROM AUTHOR]

Functionalization of perovskite nanocrystal surfaces with thiocyanate anions presents a transformative approach to enhancing stability and photoluminescence quantum yield (PLQY) through surface defect passivation. This study investigates the role of thiocyanate ligands in modifying the optoelectronic properties of CsPbBr3 nanocrystals. We employed ultrafast two-dimensional infrared spectroscopy to investigate the nature of the dynamic interaction of thiocyanate ligands with nanocrystal surfaces, providing insights into the mechanisms underlying the observed increase in PLQY and stability. Our analysis reveals that the thiocyanate ligands efficiently passivate the surface defects, thereby enhancing the PLQY and the stability of the treated nanocrystals. The spectroscopic evidence supports a model where thiocyanate binds to under-coordinated lead atoms, contributing to a stable nanocrystal surface with enhanced optoelectronic performance. This ligand-induced passivation mechanism advances our understanding of surface chemistry's role in optimizing nanomaterials for solar cell and LED applications. [ABSTRACT FROM AUTHOR]

Borazine is a well-established precursor molecule for the growth of hexagonal boron nitride (h-BN) via chemical vapor deposition on metal substrates. To understand the formation of the h-BN/Rh(111) moiré from borazine on a molecular level, we investigated the low-temperature adsorption and thermally induced on-surface reaction of borazine on Rh(111) in situ using synchrotron radiation-based high-resolution x-ray photoelectron spectroscopy (XPS), temperature-programmed XPS, and near-edge x-ray absorption fine structure measurements. We find that borazine adsorbs mainly as an intact molecule and have identified a flat-lying adsorption geometry. Borazine multilayers are observed to desorb below 200 K. Starting at about 300 K, dehydrogenation of the remaining borazine and borazine fragments takes place, and disordered boron nitride starts to grow. Above 600 K, the formation of the h-BN sets in. Finally, at 1100 K, the conversion to h-BN is complete. The h-BN formed by deposition and post-annealing was compared to the h-BN grown by an established procedure, proving the successful preparation of the desired two-dimensional material. [ABSTRACT FROM AUTHOR]

Identifying the oxidation structure of two-dimensional interfaces is crucial to improve surface chemistry and electronic properties. Beyond graphene with only phenyl rings, a novel carbon-nitrogen material, C3N, presents an intrinsic heterogeneous surface morphology where each phenyl ring is encircled by six nitrogen atoms, yet its atomistic oxidation structure remains unclear. Here, combining a series of density functional theory calculations and ab initio molecular dynamics simulations, we demonstrate that thermodynamically favorable oxidation loci are confined to the phenyl ring, and kinetic transformations of oxidation structures are feasible along the phenyl ring, whereas those toward nitrogen atoms are proven to be extremely difficult. These results are attributed to the lower barrier of oxygen atom migration along the phenyl ring, while the significantly high barriers toward nitrogen atoms are due to the heterogeneous potential energy surface for oxygen–C3N interaction. This work highlights the significance of surface morphology on the characteristics of oxidation structure, offering insights into tunable electronic properties via confined interfacial oxidation. [ABSTRACT FROM AUTHOR]

This study explored the interplay between the ligand–surface chemistry of colloidal CsPbBr3 nanowires (NWs) and their optical properties. The ligand equilibrium was probed using nuclear magnetic resonance spectroscopy, and by perturbing the equilibrium via dilution, the gradual removal of ligands from the CsPbBr3 surface was observed. This removal was correlated with an increase in the surface defect density, as suggested by a broadening of the photoluminescence (PL) spectrum, a decrease in the PL quantum yield (PLQY), and quenching of the PL decay. These results highlight similar surface binding between the traditional CsPbBr3 quantum dots and our NWs, thereby expanding the scope of well-established ligand chemistry to a relatively unexplored nanocrystal morphology. By controlling the dilution factor, it was revealed that CsPbBr3 NWs achieve a PLQY of 72% ± 2% and a relatively long average PL lifetime of 400 ± 10 ns, without relying on additional surface passivation techniques, such as ligand exchange. [ABSTRACT FROM AUTHOR]

Design of next-generation membranes requires a nanoscopic understanding of the effect of biologically inspired heterogeneous surface chemistries and topologies (roughness) on local water and solute behavior. In particular, the rejection of small, neutral solutes, such as boric acid, poses a heretofore unsolved challenge. In prior work, a computational inverse design technique using an evolutionary optimization successfully uncovered new surface design strategies for optimized transport of water over solutes in smooth, model pores consisting of two surface chemistries. However, extending such an approach to more complex (and realistic) scenarios involving many surface chemistries as well as surface roughness is challenging due to the expanded design space. In this work, we develop a new approach that uses active learning to optimize in a reduced feature space of surface group interactions, finding parameters that lead to their assembly into ordered, optimal patterns. This approach rapidly identifies novel surface functionalizations that maximize the difference in water and boric acid transport through the nanopore. Moreover, we find that the roughness of the nanopore wall, independent of its chemistry, can be leveraged to enhance transport selectivity: oscillations in the pore wall diameter optimally inhibit boric acid transport by creating energetic wells from which the solute must escape to transport down the pore. This proof-of-concept demonstrates the potential for active learning strategies, in concert with molecular simulations, to rapidly navigate complex design spaces of aqueous interfaces and is promising as a tool for engineering water-mediated surface interactions for a broad range of applications. [ABSTRACT FROM AUTHOR]

The dynamics of polymer nanocomposites varies depending on the physics and chemistry at the polymer–nanoparticle interface. The physical aging of the nanocomposites is accelerated or retarded based on interfacial interactions and the state of polymer adsorption at the interfaces. In this study, we investigated the aging kinetics of silica–polystyrene nanocomposites using differential scanning calorimetry, focusing on the effect of local conformations of chains adsorbed on the nanofiller surface. The results show that the temperature dependence of the aging rate follows a Vogel–Fulcher–Tammann relationship at high temperatures, whereas it exhibits an Arrhenius-like behavior below a characteristic temperature (Tc). Notably, at T < Tc, the aging rate decreases with increasing loop height of the chains adsorbed on the filler surface, but the activation energy remains unchanged. We proposed that the suppression of the aging rate at T < Tc is likely related to an increase in the length scale over which the slow interfacial dynamics can propagate due to the increased topological interactions between the chain loops of a larger size and the free chains in the matrix. The increased packing frustration occurring at the filler surface occupied by the larger loops might also contribute to the decreased aging rate. [ABSTRACT FROM AUTHOR]

Single phase, polycrystalline perovskite oxide SrVO3, with its intrinsic low effective work function and facile synthesis process, is a promising thermionic electron emitter cathode candidate, in which previous works have shown evidence of an effective work function as low as 2.3 eV. In this work, we study the vacuum activation process of SrVO3 and find that it has promising emission stability over 15 days of continuous high temperature operation. We find that SrVO3 shows surface Sr and O segregation during its operation, which we hypothesize is needed to create a positive surface dipole, leading to a low effective work function. Emission repeatability from cyclic heating and cooling suggests the promising stability of the low effective work function surface, and additional observations of drift-free emission during 1 h of continuous emission testing at high temperature further demonstrate its excellent performance stability. This assessment of the emission stability over time and the interplay of evolving surface chemistry with emission behavior are necessary for understanding how best to prepare, process, and operate SrVO3 cathodes. [ABSTRACT FROM AUTHOR]

The activation volume, which quantifies the response of the chemical reactions to the applied stress, plays a central role in controlling the mechanochemical reactions for applications including lubricity, wear, and the topographic fabrication of the surfaces under stress. However, the physical interpretations of the activation volume remain scientifically intriguing and largely unexplored. Here, density functional theory calculations are used to investigate the general rules of charge transfer underlying activation volume in controlling the typically mechanochemical reaction process. It is found that the activation volume could be decoupled into the electronic contributions from interface chemistry and bulk physical deformation, which are commonly linear dependent on the contact pressure. Therefore, the activation volume may, indeed, be derived from the stress-driven charge transfer underlying cooperative competition between interfacial chemistry and the bulk region. This competition is related to the stiffness change from the bulk to slab. The magnitude of the stiffness change represents the degree to which the interface atoms modify the bulk properties, which is directly related to the contribution of different regions to the activation volume. This work may open up the understanding of the activation volume from dynamic electron transfer to engineer mechanochemical reactions, different from the existing insights into the geometric dimensionality of the contact configuration. [ABSTRACT FROM AUTHOR]

Understanding polymer transport in nanopores is crucial for optimizing heterogeneously catalyzed processes in polymer upcycling and fabricating high-performance nanocomposite films and membranes. Although confined polymer dynamics have been extensively studied, the behavior of polyethylene (PE)—the most widely used commodity polymer—in pores smaller than 20 nm remains largely unexplored. We investigate the effects of extreme nanoconfinement on PE transport using capillary rise infiltration in silica nanoparticle packings with average pore radii ranging from ∼1 to ∼9 nm. Using in situ ellipsometry and the Lucas–Washburn model, we discover a previously unknown inverse relationship between effective viscosity (ηeff) and average pore radius (Rpore). Additonally, we determine that PE transport under these extreme conditions is primarily governed by physical confinement, rather than pore surface chemistry. We refine an existing theory to provide a generalized formalism to describe the polymer transport dynamics over a wide range of pore radii (from 1 nm and larger). Our results offer valuable insights for optimizing catalyst supports in polymer upcycling and improving infiltration processes for nanocomposite fabrication. [ABSTRACT FROM AUTHOR]

We have investigated, using molecular dynamics, the surface chemistry of hydrogen incident on the amorphous and crystalline lithium oxide and lithium hydroxide surfaces upon being slowed down by a collision cascade and retained in the amorphous surface of either Li2O or LiOH. We looked for the bonding of H to the resident structures in the surface to understand a possible chain of chemical reactions that can lead to surface transformation upon H atom impact. Our findings, using Density-Functional Theory (DFT) trained ReaxFF force field/electronegativity equalization method potentials, stress the importance of inclusion of polarization in the dynamics of a Li–O–H system, which is also illustrated by DFT energy minimization and quantum–classical molecular dynamics using tight binding DFT. The resulting polar-covalent chemistry of the studied systems is complex and very sensitive to the instantaneous positions of all atoms as well as the ratio of concentrations of various resident atoms in the surface. [ABSTRACT FROM AUTHOR]

Hydrophobicity has proven fundamental in an inexhaustible amount of everyday applications. Material hydrophobicity is determined by chemical composition and geometrical characteristics of its macroscopic surface. Surface roughness or texturing enhances intrinsic hydrophilic or hydrophobic characteristics of a material. Here we consider crystalline surfaces presenting molecular-scale texturing typical of crystalline porous materials, e.g., metal-organic frameworks. In particular, we investigate one such material with remarkable hydrophobic qualities, ZIF-8. We show that ZIF-8 hydrophobicity is driven not only by its chemical composition but also its sub-nanoscale surface corrugations, a physical enhancement rare amongst hydrophobes. Studying ZIF-8's hydrophobic properties is challenging as experimentally it is difficult to distinguish between the materials' and the macroscopic corrugations' contributions to the hydrophobicity. The computational contact angle determination is also difficult as the standard "geometric" technique of liquid nanodroplet deposition is prone to many artifacts. Here, we characterise ZIF-8 hydrophobicity via: (i) the "geometric" approach and (ii) the "energetic" method, utilising the Young–Dupré formula and computationally determining the liquid–solid adhesion energy. Both approaches reveal nanoscale Wenzel-like bathing of the corrugated surface. Moreover, we illustrate the importance of surface linker termination in ZIF-8 hydrophobicity, which reduces when varied from sp3 N to sp2 N termination. We also consider halogenated analogues of the methyl-imidazole linker, which promote the transition from nanoWenzel-like to nanoCassie–Baxter-like states, further enhancing surface hydrophobicity. Present results reveal the complex interface physics and chemistry between water and complex porous, molecular crystalline surfaces, providing a hint to tune their hydrophobicity. [ABSTRACT FROM AUTHOR]

Polar surfaces undergo polarity compensation, which can lead to significantly different surface chemistry from their nonpolar counterparts. This process in turn can substantially alter the binding of adsorbates on the surface. Here, we find that hydrogen binds much more strongly to the polar (110) surface than the nonpolar (100) surface for a wide range of ABO3 perovskites, forming a hydroxyl layer on the O24− termination and a hydride layer on the ABO4+ termination of the (110) surface. The stronger adsorption on the polar surfaces can be explained by polarity compensation: hydrogen atoms can act as electron donors or acceptors to compensate for the polarity of perovskite surfaces. The relative stability of the surface terminations is further compared under different gas environments and several perovskites have been found to form stable surface hydride layers under oxygen-poor conditions. These results demonstrate the feasibility of creating stable surface hydrides on perovskites by polarity compensation which might lead to new hydrogenation catalysts based on ABO3 perovskites. [ABSTRACT FROM AUTHOR]

We have used a combination of pico-to-nano temporal/spatial scale computational physics and chemistry modeling of plasma–material interfaces in the tokamak fusion plasma edges to unravel the evolving characteristics, not readily accessible by empirical means, of lithium-, oxygen-, and hydrogen-containing materials of plasma-facing components under irradiation by hydrogen and its isotopes. In the present calculation, amorphous lithium compound surfaces containing oxygen, Li2O, and LiOH were irradiated by 1–100 eV particles at incident angles on the surface ranging from perpendicular to almost grazing angles. Consequential surface processes, reflection, retention, and sputtering were studied at "the same footing" and compared to earlier results from amorphous Li and LiH surfaces. The critical role of charging dynamics of lithium, oxygen, and hydrogen atoms in the surface chemistry during hydrogen-fuel irradiation was found to drive the kinetics and dynamics of these surfaces in unexpected ways that ultimately could have profound effects on fusion plasma confinement behavior and surface erosion. [ABSTRACT FROM AUTHOR]

Electrodeposited amorphous hydrated iridium oxide (IrOx) is a promising material for pH sensing due to its high sensitivity and the ease of fabrication. However, durability and variability continue to restrict the sensors effectiveness. Variation in probe films can be seen in both performance and fabrication, but it has been found that performance variation can be controlled with potentiostatic conditioning (PC). To make proper use of this technique, the morphological and chemical changes affecting the conditioning process must be understood. Here, a thorough study of this material, after undergoing PC in a pH-sensing-relevant potential regime, was conducted by voltammetry, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS). Fitting of XPS data was performed, guided by raw trends in survey scans, core orbitals, and valence spectra, both XPS and UPS. The findings indicate that the PC process can repeatably control and conform performance and surface bonding to desired calibrations and distributions, respectively; PC was able to reduce sensitivity and offset ranges to as low as ±0.7 mV/pH and ±0.008 V, respectively, and repeat bonding distributions over ~2 months of sample preparation. Both Ir/O atomic ratios (shifting from 4:1 to over 4.5:1) and fitted components assigned hydroxide or oxide states based on the literature (low-voltage spectra being almost entirely with suggested hydroxide components, and high-voltage spectra almost entirely with suggested oxide components) trend across the polarization range. Self-consistent valence, core orbital, and survey quantitative trends point to a likely mechanism of ligand conversion from hydroxide to oxide, suggesting that the conditioning process enforces specific state mixtures that include both theoretical Ir(III) and Ir(IV) species, and raising the conditioning potential alters the surface species from an assumed mixture of Ir species to more oxidized Ir species.

Carbon materials are considered among the most promosing candidates for sodium ion batteries because of their competitive performance. Nevertheless, they suffer from low initial coulombic efficiencies (ICEs) and limited electrochemical performance. Herein, nitrogen-doped hollow carbon spheres (NHCSs) with a distinct porous structure are developed by a template-assisted carbonization of dopamine, followed by a template removal procedure. This advanced structural design, coupled with the surface chemistry of carbonized polydopamine, leads to an impressive ICE of 89.18% and a reversible capacity stabilized at ∼700 mA h g−1 at 50 mA g−1 after 100 cycles. Compared to commercial hard carbon anodes, NHCSs demonstrate superior rate performance, delivering a capacity of ∼200 mA g h−1 at 5 A g−1 with minimal capacity fading of ∼0.057 mA h g−1 per cycle over 1000 cycles. These findings highlight the potential of NHCSs as a high-performance anode material for sodium-ion batteries, offering both high efficiency and excellent cycling stability. [ABSTRACT FROM AUTHOR]

Nanomaterials with enzyme-like properties are known as 'nanozymes'. Nanozymes are preferred over natural enzymes due to their nanoscale characteristics and ease of tailoring of their physicochemical properties such as size, structure, composition, surface chemistry, crystal planes, oxygen vacancy, and surface valence state. Interestingly, nanozymes can be precisely controlled to improve their catalytic ability, stability, and specificity which is unattainable by natural enzymes. Therefore, tailor-made nanozymes are being favored over natural enzymes for a range of potential applications and better prospects. In this context, metal oxide nanoparticles with nanozyme-mimicking characteristics are exclusively being used in biomedical sectors and opening new avenues for future nanomedicine. Realising the importance of this emerging area, here, we discuss the mechanistic actions of metal oxide nanozymes along with their key characteristics which affect their enzymatic actions. Further, in this critical review, the recent progress towards the development of point-of-care (POC) diagnostic devices, cancer therapy, drug delivery, advanced antimicrobials/antibiofilm, dental caries, neurodegenerative diseases, and wound healing potential of metal oxide nanozymes is deliberated. The advantages of employing metal oxide nanozymes, their potential limitations in terms of nanotoxicity, and possible prospects for biomedical applications are also discussed with future recommendations. [ABSTRACT FROM AUTHOR]

This study explores the effects of atomic-level factors on the performance of CeO 2 when interacting with SiO 2 films. It specifically examines how different precursors, the ratio of Ce to OH, and reaction temperatures influence outcomes. Our findings reveal that smaller particles, around 5 nm in size, created using a Ce4+ precursor, are more effective at removing SiO 2 films compared to larger, more crystalline particles from a Ce3+ precursor. This is due to their increased interaction with the SiO 2 film during the polishing process, challenging the conventional emphasis on mechanical abrasion in chemical mechanical planarization (CMP) and highlighting the crucial role of chemical interactions. Further analysis through FT-IR and TGA-FTIR techniques showed distinct functional group profiles on the ceria surfaces. Ceria derived from Ce4+ exhibited a higher presence of OH and NO 3 groups, enhancing adsorption capabilities, as verified by CHN analysis. Importantly, first-principles calculations identified these surface groups as key to improving adhesion to SiO 2 films. Surfaces of amorphous CeO 2 , rich in -OH and -NO 3 groups, showed significantly higher adhesion levels than their crystalline counterparts, connecting crystallinity to chemical functionality. This new insight leads to the possibility of designing next-generation CeO 2 abrasives with increased chemical activity. [ABSTRACT FROM AUTHOR]

[Display omitted] Alloying-type anode materials are considered promising candidates for next-generation alkali-ion batteries. However, they face significant challenges owing to severe volume variations and sluggish kinetics, which hinder their practical applications. To address these issues, we propose a universal synthetic strategy, which can realize the facile synthesis of various alloying-type anode materials composed of a porous carbon matrix with uniformly embedded nanoparticles (Sb, Bi, or Sn). Besides, we construct the interactions among active materials, electrolyte compositions, and the resulting interface chemistries. This understanding assists in establishing balanced kinetics and stability. As a result, the fabricated battery cells based on the above strategy demonstrate high reversible capacity (515.6 mAh g−1), long cycle life (200 cycles), and excellent high-rate capability (at 5.0 C). Additionally, it shows improved thermal stability at 45 and 60 °C. Moreover, our alloying-type anodes exhibit significant potential for constructing a 450 Wh kg−1 battery system. This proposed strategy could boost the development of alloying-type anode materials, aligning with the future demands for low-cost, high stability, high safety, wide-temperature, and fast-charging battery systems. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Graphene nanoribbons (GNRs), which can be considered as a special type of conjugated polymers, are quasi‐one‐dimensional graphene cutouts with an opened band gap, revealing great potential as functional materials in optoelectronic, spintronic, and energy‐related applications. An effective strategy to modulate the properties of GNRs is doping heteroatoms into the π‐skeleton. Thanks to the bottom‐up synthetic approach, a number of heteroatom‐doped GNRs with precise structures have been reported, exhibiting intriguing properties. Nevertheless, a comprehensive summary of the progress of this field has remained elusive. In this review, we summarize the history and advances in bottom‐up synthesized heteroatom‐doped GNRs, including their synthetic routes, electronic properties, and promising applications. We hope to establish the reliable structure–property relationship, and provide guidance for the molecular design of heteroatom‐doped GNRs in the future. [ABSTRACT FROM AUTHOR]

The study successfully enabled the creation of ceramic surfaces with multi functionalities, including superhydrophilicity, self-cleaning, antibacterial properties, and photocatalytic activity, by applying a glaze composition rich in nano ZnO/Cu–ZnO and utilizing surface chemistry and unique texturing on porcelain tiles. The tiles, coated with unique glaze compositions, were fired in an industrial furnace and heat treated. The crystalline phases and surface morphology of glazed surfaces were systematically evaluated using XRD, SEM, FT-IR, drop shape analyzer, and surface roughness profilometer. Key-factors affecting the wettability, self-clean ability, photocatalytic activity and antibacterial efficacy were discussed. Adding nano Cu into the glaze mixture that is rich in ZnO improves the evolution of zincite crystals, increases the specific surface energy, decreases surface roughness, provide superhydrophilicity and promotes the antibacterial effectiveness and photocatalytic activity. Superhydrophilic surfaces doped with nano Cu–ZnO display antibacterial characteristics that do not require UV or visible light. The quick achievement of complete self-cleaning, up to 100 %, is due to the presence of nano Cu particles in its structure. Hydrophilicity has the ability to improve the efficiency of photocatalysis. If a surface exhibits superhydrophilic properties, it shows exceptional photocatalytic performance. A surface that is solely photohydrophilic may not maintain self-cleaning. Hydrophilicity may be more important than photocatalysis in the self-cleaning effect. [ABSTRACT FROM AUTHOR]

A novel cobalt-free, high-nickel cathode material, named 0.01B-LiNi 0.98 Mg 0.01 Zr 0.01 O 2 (NMZB), is introduced, aimed at enhancing stability. Mg, Zr, and B elements are strategically incorporated, with Mg and Zr primarily located inside particles and B predominantly on the surface, boosting both bulk and surface stability. NMZB exhibits outstanding electrochemical performance, with 90.5% capacity retention after 200 cycles at a 1C rate. This composition offers a pathway for cost-effective, high-performance lithium-ion battery technology. [Display omitted] Cobalt-free, high-nickel cathode materials are essential for the sustainable evolution of energy storage technologies, reducing the dependence on resources with significant environmental and social implications and simultaneously improving the efficiency and cost effectiveness of batteries. This paper introduces a cobalt-free, high-nickel cathode material called 0.01B-LiNi 0.98 Mg 0.01 Zr 0.01 O 2 (NMZB) developed using a novel blend of elements to enhance mechanical and surface chemical stability. Detailed evaluations confirmed the successful integration of Mg, Zr, and B into the particles, with Mg and Zr primarily located within the particle interior and B predominantly on the surface. This unique elemental configuration significantly improves the stability of the bulk phase and surface structure of the material. In addition, the refinement of primary particles within NMZB further enhances its mechanical stability. As a result, NMZB exhibits exceptional electrochemical stability, achieving 90.5 % capacity retention after 200 cycles at a 1C rate. This compositional strategy incorporates a high nickel content into layered materials while eliminating cobalt, which is crucial for advancing the development of cost effective and high-performance lithium-ion battery technology. [ABSTRACT FROM AUTHOR]

This work combines the nanoconfined material with the air-breathing gas diffusion electrode equips a wide practical range of applications for the synthesis of high-yield H 2 O 2 and upgrading of H 2 O 2 products. [Display omitted] • Yolk-shell SnS 2 @CSs Z-scheme nanoreactor is controllably synthesized. • Hydrogen peroxide production is increased through the nano-confinement effect. • Continuous hydrophobic layers allow air to spontaneously diffuse into the AGPE. • The photoelectrode has a good reusability and stability for activation of O 2 /H 2 O. • Hydrogen peroxide is produced under neutral condition media. The diffusion and adsorption properties of the O 2 /H 2 O corpuscles at active sites play a crucial role in the fast photo-electrocatalytic reaction of hydrogen peroxide (H 2 O 2) production. Herein, SnS 2 nanosheets with abundant interfacial boundaries and large specific areas are encapsulated into hollow mesoporous carbon spheres (CSs) with flexibility, producing a yolk-shell SnS 2 @CSs Z-scheme photocatalyst. The nanoconfined microenvironment of SnS 2 @CSs could enrich O 2 /H 2 O in catalyst cavities, which allows sufficient internal O 2 transfer, improving the surface chemistry of catalytic O 2 to O 2 − conversion and increasing reaction kinetics. By shaping the mixture of SnS 2 @CSs and polytetrafluoroethylene (PTFE) on carbon felt (CF) using the vacuum filtration method, the natural air-breathing gas diffusion photoelectrode (AGPE) was prepared, and it can achieve an accumulated concentration of H 2 O 2 about 12 mM after a 10 h stability test from pure water at natural pH without using electrolyte and sacrificial agents. The H 2 O 2 product is upgraded through one downstream route of conversion of H 2 O 2 to sodium perborate. The improved H 2 O 2 production performance could be ascribed to the combination of the confinement effect of SnS 2 @CSs and the rich triple phase interfaces with the continuous hydrophobic layer and hydrophilic layer to synergistically modulate the photoelectron catalytic microenvironment, which enhanced the transfer of O 2 mass and offered a stronger affinity to oxygen bubbles. The strategy of combining the confined material with the air-breathing gas diffusion electrode equips a wide practical range of applications for the synthesis of high-yield hydrogen peroxide. [ABSTRACT FROM AUTHOR]

[Display omitted] Dielectric effects and the coupled electrostatics between the nanoconfined and the internal/external aqueous media contribute to the observed deviations of chemistry within the nanoconfined environment when compared with unconfined systems. A systematic understanding has remained elusive, especially with respect to background salt concentration and boundary condition effects like the nanopore surface chemistry and the reference state used to calculate free energies. We utilize molecular dynamics simulations along with thermodynamic integration to determine the free energy difference associated with acid-base chemistry in 2 nm and 4 nm slit pores open to a bulk-like reservoir. pK a increases are predicted when confining acetic acid, formic acid, and bicarbonate in the slits at infinite dilution conditions. We find that confinement weakens the acids, and the modulation of outer pore surface dipole magnitudes can tune the pK a shift values, suggesting that purely "intrinsic" electrostatic effect on confinement may not exist. At sufficiently high salt concentrations, the dielectric/electrostatic effects on pK a values diminish due to charge screening effects. These discoveries enable future modifications of nanopore chemistries to achieve desirable properties for industrial applications. [ABSTRACT FROM AUTHOR]

Carbon materials are of great significance in state‐of‐the‐art electrochemical CO2 reduction (ECR) as key components such as electrocatalysts, gas diffusion electrodes, and current collectors. Notably, dimensionalities of carbons and related manipulations play vital roles in boosting ECR performance, e.g., mass/charge transfer dynamics, exposure of active sites, reaction space, product's Faradaic efficiency/selectivity, and durability. Here, recent endeavors in dimensionality engineering toward advanced carbon‐based materials for ECR is first summarized, including pure carbons (e.g., carbon nanotube and graphene) and carbon composites, and highlight the dimensionality‐dependent properties toward ECR performance. Various engineering strategies referring to dimensionality modulation and integration have been summarized, e.g., top‐down, bottom‐up, and soft chemical approaches. Design principles of dimensionality‐varied carbons are elaborated, the impacts of dimensionalities of carbons and related surface chemistry (e.g., functional group, wettability, and electronic structure) on ECR kinetics and product‐targeted mechanisms are also scrutinized. Some insights into how the dimensionality manipulation of carbons elevates performance of carbon‐based materials in mass/charge transfer acceleration, ECR kinetics, and product selectivity are provided. At last, a perspective for challenges and future development of dimensionality‐varied carbon materials is discussed. This review aims at providing guidance for customizable construction of carbon materials with dimensionality dependence toward green and energy‐saving electrosynthesis systems. [ABSTRACT FROM AUTHOR]

The interaction between water molecules and surfaces in porous carbon‐based materials plays a significant role in various fields including but not limited to catalysis, gas sorption, or electrochemical energy storage and conversion. The incorporation of nitrogen enhances the hydrophilicity of typically rather nonpolar carbon‐based materials but the molecular understanding of water chemical configuration in such porous materials remains incomplete. Water adsorption on nitrogen‐containing nanoporous carbon surfaces is governed by a subtle balance between water–water and water–surface hydrogen bonding interactions, which together determine the water structures formed and their stability. In this work, in situ Scanning Transmission X‐ray microscopy performed on individual nanoporous carbon particles under a humid atmosphere is used to elucidate the interactions between nitrogen‐containing carbon surfaces and water molecules. The hydrogen bonding of water is found to be nonuniform within the particles and to depend on the nanopore size and the chemical bonding of nitrogen atoms. The nature of the nitrogen sites interacting with water is further characterized by resonance inelastic X‐ray Scattering and near ambient pressure X‐ray Photoelectron Spectroscopy. This study provides new perspectives on water interaction when confined in nanoporous nitrogen‐rich carbons. [ABSTRACT FROM AUTHOR]

Sodium‐ion batteries (SIBs) have garnered significant interest as one of the most promising energy suppliers for power grid energy storage. However, the poor electrode/electrolyte interfacial stability leads to continual electrolyte decomposition and transition metal dissolution, resulting in rapid performance degradation of SIBs. In this work, we propose a strategy integrating multiple functional bonds to regulate electrode/electrolyte interphase by triple‐coupling of succinonitrile (SN), sodium hexafluorophosphate (NaPF6) and fluorinated ethylene carbonate (FEC). Theoretical calculation and experiment results show that the solvation structure of Na+ and ClO4− is effectively reconfigured by the solvated FEC, SN and PF6− in PC‐based carbonate electrolyte. The newly developed electrolyte demonstrates increased Na+‐FEC coordination, weakened interaction of Na+‐PC and participation of SN and PF6− anions in solvation, resulting in the formation of a conformal interfacial layer comprising of sodium oxynitrides (NaNxOy), sodium fluoride (NaF) and phosphorus oxide compounds (NaPxOy). Consequently, a 3 Ah pouch full cell of hard carbon//NaNi1/3Fe1/3Mn1/3O2 exhibits an excellent capacity retention of 90.4 % after 1000 cycles. Detailed postmortem analysis of interface chemistry is further illustrated by multiple characterization methods. This study provides a new avenue for developing electrolyte formulations with multiple functional bonds integrated interphases to significantly improve the long‐term cycling stability of SIBs. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: Graphene nanoribbons (GNRs), which can be considered as a special type of conjugated polymers, are quasi‐one‐dimensional graphene cutouts with an opened band gap, revealing great potential as functional materials in optoelectronic, spintronic, and energy‐related applications. An effective strategy to modulate the properties of GNRs is doping heteroatoms into the π‐skeleton. Thanks to the bottom‐up synthetic approach, a number of heteroatom‐doped GNRs with precise structures have been reported, exhibiting intriguing properties. Nevertheless, a comprehensive summary of the progress of this field has remained elusive. In this review, we summarize the history and advances in bottom‐up synthesized heteroatom‐doped GNRs, including their synthetic routes, electronic properties, and promising applications. We hope to establish the reliable structure–property relationship, and provide guidance for the molecular design of heteroatom‐doped GNRs in the future. [ABSTRACT FROM AUTHOR]

Nanoparticles of metal‐organic frameworks (nanoMOFs) possess the unusual combination of both internal and external surfaces. While internal surfaces have been the focus of fundamental and applications‐based MOF studies, the chemistry of the external surfaces remains scarcely understood. Herein we report that specific ion interactions with nanoparticles of Cu(1,2,3‐triazolate)2 (Cu(TA)2) resemble the Hofmeister behavior of proteins and the supramolecular chemistry of synthetic macromolecules. Inspired by these anion‐selective interactions, we tested the performance of Cu(TA)2 nanoparticles as chemical field effect transistor (ChemFET) anion sensors. Rather than size‐based selectivity, the detection limits of the devices exhibit a Hofmeister trend, with the greatest sensitivity towards anions perchlorate, iodide, and nitrate. These results highlight the importance of the pore‐based supramolecular interactions, rather than localized donor‐acceptor pairs, in designing MOF‐based technologies. [ABSTRACT FROM AUTHOR]

In exploring the potential of agricultural waste as an efficient adsorbent, acid‐activated coconut husk biochar was prepared, characterized and applied to remove amoxicillin from wastewater. The mechanism of adsorption was also investigated through isotherm and kinetic studies. The biochar was activated with HNO3 for 2 h at 25°C and investigated under varying experimental conditions of pH (1–11), initial amoxicillin concentration (0.5–2.5 mg/L), adsorbent dosage (2–20 mg) and contact time (0–24 h). The adsorption process was characterized by rapid attainment of adsorption equilibrium and high values of adsorption capacity. Acid activation had a significant impact on the adsorptive capacity of biochar as removal efficiency improved from 90% (over an hour) to 98.9% (within 40 min). The FTIR results confirmed the characteristic adsorption peaks of C‐H, =C‐H, C=C, C‐O, C=O and O‐H, suggesting the dominant presence of aromatic and carbonyl functional groups on the surface of the biochar. Adjustments in peak shapes and transmittance were observed for these functional groups after the adsorption; highlighting the likely interaction between the biochar and the amoxicillin during the adsorption which has been succinctly proposed. The SEM micrographs showed the growth of leaf‐like flakes of irregular shapes and pores essential for the adsorption. The rate and mechanism of adsorption were driven by the variable surface charge of the adsorbent and the degree of ionization of the adsorbates, which were largely controlled by the solution pH. Adsorption rates were highest in the acidic medium, peaking around a pH of 3, then remained relatively stable between pHs of 5 and 7 before reducing dramatically with increasing pH in the alkaline region. The adsorption best followed the Langmuir model of isotherm while the kinetics mimicked the pseudo–second order (PSO). The findings suggest that HNO3‐activated coconut biochar is a promising, low‐cost and porous adsorbent effective for amoxicillin removal. [ABSTRACT FROM AUTHOR]

This study investigates the surface functionalization of plastic substrates through dip‐coating in azide‐functionalized polymer solutions, followed by a click reaction (i.e., strain‐promoted azide–alkyne cycloaddition). Acrylic, poly(ethylene terephthalate) (PET), and nylon substrates are dip‐coated with a series of polymers containing various azide groups grafted onto the poly(methyl methacrylate‐co‐hydroxyethyl methacrylate) backbone to examine structural effects on the surface density of clickable azide groups. X‐ray photoelectron spectroscopy and fluorescence spectroscopy confirm the subsequent click‐immobilization of cycloalkyne‐tagged fluorescein, which is quantified to calculate the surface density of clickable azide groups. Further investigations demonstrate that the surface density of azide groups can be controlled by manipulating the polymer ratio during dip‐coating, thus enabling the preparation of a linear surface gradient in terms of azide group density. Finally, the microcontact printing (µCP) method is employed to pattern the functionalized surfaces and quantify the functional molecules immobilized on the surface by µCP. This study highlights the adaptability of click chemistry and polymer coating techniques for the advanced functionalization of plastic surfaces for materials science and engineering applications. [ABSTRACT FROM AUTHOR]

Bimetallic nanomaterials have shown great potential across various fields of application. However, the synthesis of many bimetallic particles can be challenging due to the immiscibility of their constituent metals. In this study, we present a synthetic strategy to produce compositionally tunable silver–copper (Ag-Cu) bimetallic nanoparticles using plasma-driven liquid surface chemistry. By using a low-pressure nonthermal radiofrequency (RF) plasma that interacts with an Ag-Cu precursor solution at varying electrode distances, we identified that the reduction of Ag and Cu salts is governed by two "orthogonal" parameters. The reduction of Cu2+ is primarily influenced by plasma electrons, whereas UV photons play a key role in the reduction of Ag+. Consequently, by adjusting the electrode distance and the precursor ratios in the plasma–liquid system, we could control the composition of Ag-Cu bimetallic nanoparticles over a wide range. [ABSTRACT FROM AUTHOR]

• ALD is a versatile method for creating functional barriers for primary packaging materials. • ALD metal oxide coatings prevented formation of extractables and leachables as analyzed by hydrolytic resistance, water conductivity and ICP-OES in standard test conditions. • Functionality, such as transparent protection from UV–Vis light or hydrophilicity/hydrophobicity, could be tailored by ALD films. Novel pharmaceuticals and drug delivery devices may require better performance from the packaging material e.g., in terms of extractables and leachables, and unwanted interactions. To address this, we applied atomic layer deposition (ALD) to build nanometer-range SiO 2 , ZrO 2 and Al 2 O 3 -TiO 2 films on primary packaging glass. Controlled modification of the surface also enabled creation of functionality without affecting visual appearance of the material. ALD-coated Type I borosilicate vials were compared to uncoated ones, and tailored functionality was presented by appropriate measurements. The tested ALD coatings formed a barrier on glass against extractables and leachables, from the vial and the coating alike. A good ALD coating prevents any leakage into the stored drug product. Hydrolytic resistance results improved by 85–92 %, and these results correlated well with straightforward water conductivity measurements. Opposite to uncoated borosilicate glass vials, no extracted elements could be detected from the extracts of the coated vials with stable ALD films. Improved surface integrity was observed with electron microscopy as well. ALD films increased hydrophilicity of the surface and tuning the ALD film thickness and composition allowed precise blocking of UV light wavelengths, without affecting transparency. As a conclusion, ALD is a versatile method to create barrier and functional films on primary packaging materials. [ABSTRACT FROM AUTHOR]

BiOI is a promising photoelectrocatalyst for oxidation reactions. However, the limited photoelectrocatalytic (PEC) activity necessitates the development of new strategies to modify its surface chemistry and thus enhance functional properties. Herein, we present a simple method to increase photocurrent in a BiOI‐based photoanode by exfoliating microspheres of the oxyhalide produced through hydrothermal synthesis. Following exfoliation in isopropanol, the resulting layered BiOI‐based colloid contains a greater variety of species, including Bi2O2CO3, I3−, IO3−, Bi5+, and hydroxides, compared to the original BiOI. These additional species do not directly enhance the PEC oxygen evolution reaction (OER) performance. Instead, they are consumed or converted during PEC OER, resulting in more active sites on the photoelectrode and reduced resistance, which ultimately improves the water oxidation performance of the exfoliated BiOI. Over long‐term chronoamperometry, the exfoliated BiOI demonstrates a photocurrent twice as high as that of the BiOI microspheres. Analysis of the species after PEC OER reveals that the combination of IO3−, Bi5+, and I3− species on the BiOI is beneficial for charge transfer, thus enhancing the intrinsic PEC properties of the BiOI. This study offers new insights into the role of surface chemistry in determining PEC performance, aiding the optimization of 2D materials‐based photoelectrocatalysts. [ABSTRACT FROM AUTHOR]

Hydrogel-based soft materials have attracted significant attention in various fields due to their high water content, good biocompatibility, and variable mechanical strength. However, due to the hydrophilic properties of hydrogel networks, most of the hydrogel-based soft materials are easy to swell in water and have monotonous surface wettability. Here, taking advantage of the intrinsic hydrophobicity of siloxane, novel heteronetwork organohydrogels were synthesized by covalently integrating reactive siloxane monomers into the hydrophilic hydrogel networks via emulsion polymerization. The surface of the heteronetwork organohydrogels exhibited adaptive wettability owing to the rearrangement of the surface chemistry induced by varying solvent conditions. Moreover, the heterogeneous networks endowed organohydrogels with excellent anti-swelling abilities in water or oil (n-heptanes). The potential application of the prepared organohydrogels in the field of oil/water separation was also preliminarily explored. The idea and method of integrating polysiloxane into hydrogels in this study might provide a new insight to develop high-performance polysiloxane-based heteronetwork gel materials. [ABSTRACT FROM AUTHOR]

Wire-electrical discharge machining (wire-EDM) is gaining wider acceptance for producing components of Al-matrix composites (Al-MCs) that are hard to machine by traditional methodologies. The related research is primarily limited to ex-situ Al-MCs commonly reinforced with ceramic particles; however, Al-MCs reinforced with in-situ ordered intermetallics have evolved as superior composites nowadays. This research has focused on wire-EDM of in-situ Al/Al3Fe composites developed by the reactive stir-casting route. The influence of three machining variables (pulse-on-time, servo voltage, and peak-current) and one material parameter (vol% of reinforcement) have been studied following the L27 Taguchi design. The integrity of the machined surface has been characterized via measurements of surface roughness (SR) and the alteration of surface chemistry (ASC, ΣCu + Zn + O), in addition to the evaluation of kerf width (KW) as a machining performance indicator. It has been established that all four control factors are significant for KW, while ASC is influenced by all factors except vol% of reinforcement; however, only pulse-on-time is substantial for SR. Analytical models of individual responses are developed while the desirability approach helps to accomplish the multi-response optimization; several confirmation experiments establish the authenticity of these predictions with an error < 8%. Characterizations of machined surfaces and wire electrodes by FESEM and EDS techniques reveal that the surface integrity of in-situ Al/Al3Fe composites varies significantly with machining conditions. [ABSTRACT FROM AUTHOR]

Silicon carbide (SiC) is a widely used component for thermal protection system (TPS) design. This material is often used either as a coating layer to protect beneath carbon‐based material against oxidation or as a ceramic matrix for composite materials used in the hypersonic leading edges. A numerical equilibrium model for SiC‐coated material ablation is developed in this study to compute the material response of coated TPS in hypersonic relevant aerothermal environment. The developed model is based on an equilibrium approach similar to the carbon graphite oxidation framework for ablative charring materials. The equilibrium wall composition is calculated based on the minimization of the Gibbs free energy. The proposed method can capture numerically the transition from passive to active oxidation while maintaining a low computational cost and good numerical stability. Implementation of the model in the Porous Material Analysis Toolbox based on OpenFOAM code permits to compare against previous literature test cases. By comparing the surface temperature obtained from the model with the experimental data, it is observed that the numerical model gives a good estimation providing accurate surface temperature prediction. [ABSTRACT FROM AUTHOR]

Nanozymes, synthetic nanomaterials that mimic the catalytic functions of natural enzymes, have emerged as transformative technologies for biosensing, diagnostics, and environmental monitoring. Since their introduction, nanozymes have rapidly evolved with significant advancements in their design and applications, particularly through the integration of machine learning (ML). Machine learning (ML) has optimized nanozyme efficiency by predicting ideal size, shape, and surface chemistry, reducing experimental time and resources. This review explores the rapid advancements in nanozyme technology, highlighting the role of ML in improving performance across various bioapplications, including real-time monitoring and the development of chemiluminescent, electrochemical and colorimetric sensors. We discuss the evolution of different types of nanozymes, their catalytic mechanisms, and the impact of ML on their property optimization. Furthermore, this review addresses challenges related to data quality, scalability, and standardization, while highlighting future directions for ML-driven nanozyme development. By examining recent innovations, this review highlights the potential of combining nanozymes with ML to drive the development of next-generation diagnostic and detection technologies. [ABSTRACT FROM AUTHOR]

The evolution of the cathodoluminescence spectra from commercially available nanodiamonds with high density of nitrogen‐vacancy defects has been studied in a large wavelength range, from 200 to 800 nm, and temperatures from 5 to 300 K, in order to achieve a temperature probe with high spatial resolution. The full width at half maximum of the peak associated to the neutral charge state of the NV center has been found to evolve with temperature in a predictable way, although its value may vary from sample to sample. We have attributed this shift to the differences in the nanodiamonds surface chemistry. [ABSTRACT FROM AUTHOR]

The addition of 17OH2 to silica at room temperature leads to spontaneous hydroxyl oxygen exchange and the selective isotopic enrichment of silanols, as observed using in and ex situ17O NMR. The discovery that silanols are labile alters our understanding of the chemistry of silica surfaces. [ABSTRACT FROM AUTHOR]

The use of photocatalytic systems involving semiconductor materials for environmental and energy applications, such as water remediation and clean energy production, is highly significant. In line with this, a family of carbon-based polymeric materials known as carbon nitride (CNx) has emerged as a promising candidate for this purpose. Despite CNx's remarkable characteristics of performance, stability, and visible light responsiveness, its chemical inertness and poor surface properties hinder interfacial interactions, which are key to effective catalysis. This highlight reviews the literature focusing on the surface chemistry of CNx, especially its structural formation pathway, reactivity, and solvent interactions. It also explores recent advancements in the use of modified CNx for hydrogen production and arsenic remediation, offering recommendations for future material design improvements. [ABSTRACT FROM AUTHOR]

This article explores the structuring sodium tungstate with sodium dodecyl sulphate (SDS) in water and characterizing the resulting products post-destabilization with hydrochloric acid and calcination. Utilizing nuclear magnetic resonance (NMR), small-angle X-ray scattering (SAXS), fluorescence spectroscopy with a pyrene probe, conductivity, and pH analyses, the study elucidates the system's structure and interactions. SDS serves as a structuring agent for tungstate anions in water, with sulphate anions interacting with tungsten d-orbitals. The presence of SDS significantly influences final structures after calcination. Higher precursor/structuring agent ratios result in higher proportion of tungsten oxide, alongside Na 2 W 2 O 7 and Na 2 W 4 O 13. Varying calcination temperatures yield different crystal structures and morphologies, including flower petals and roses at 500 °C and nanorods at 700 °C. These findings shed light on material structuring processes. The obtained materials exhibit to utilize solar radiation for chemical reactions. [ABSTRACT FROM AUTHOR]

The further applications of silicon carbide (SiC) are limited due to the ease of being contaminated and tendency for icing at low temperature caused by its intrinsically hydrophilicity. In recent years, superhydrophobic surface has been widely employed due to the potential value in anti-fouling and passive anti-icing. In this work, a novel laser ablation-silicone oil heat treatment (LASH) composite process is proposed to fabricate superhydrophobic SiC surface. Many microscale "fence" structures and nanoscale "broccoli" fragmental structures are successfully obtained, which can be adjusted by using different laser processing parameters. Besides, the X-ray photoelectron spectroscopy analysis demonstrates that the effective deposition of low surface energy chemical functional groups is the key to realize the superhydrophobic properties of SiC surface. The coupling effect between the micro/nano structures and low surface energy is confirmed to be important for the stability of Cassie-Baxter state at low temperature. In addition, the freezing process of water droplets on the LASH surface at low temperature and the mechanism of the rapid transition from Wenzel state to Cassie-Baxter state are analyzed. The experimental results indicate that the LASH surface possesses a longer static icing time and keeps good hydrophobicity at −5 °C. The icing temperature of the LASH surface decreases to −17.6 °C while the temperature of the untreated surface is −3.7 °C. Moreover, the LASH surface possesses a lower ice adhesion strength which means it is easier for the ice droplets to break away from the surface. After 20 cycles of icing-deicing experiments, the WCA of the LASH surface is still higher than 150° and its ice adhesion strength slightly increases to 240 kPa. Finally, the mechanical robustness of the LASH surface is studied through the abrasive belt and tape stripping tests, and the anti-fouling property is also evaluated. The change of ice adhesion strength on the LASH surface under cyclic icing experiment is analyzed. The experimental results show that the LASH surface has great mechanical durability and anti-fouling property, which is expected to further expand the application prospects of SiC in different fields. [Display omitted] • LASH composite process is developed to fabricate superhydrophobic silicon carbide surface. • Micro/nano structures and surface chemistry play important roles for superhydrophobicity. • Wettability of the surface can be controlled by adjusting the laser processing parameters. • LASH surface can achieve free transition from Wenzel state to Cassie-Baxter state. • LASH surface possesses excellent mechanical durability and anti-icing properties. [ABSTRACT FROM AUTHOR]

Sputtering nickel oxide (NiOx) is a production‐line‐compatible route for depositing hole transport layers (HTL) in perovskite/silicon tandem solar cells. However, this technique often results in films with low crystallinity and structural flaws, which can impair electronic conductivity. Additionally, the complex surface chemistry and inadequate Ni3+/Ni2+ ratio impede the effective binding of self‐assembled monolayers (SAMs), affecting hole extraction at the perovskite/HTL interface. Herein, these issues are addressed using a recrystallization strategy by treating sputtered NiOx thin films with sodium periodate (NaIO4), an industrially available oxidant. This treatment improved crystallinity and increased the Ni3+/Ni2+ ratio, resulting in a higher content of nickel oxyhydroxide. These enhancements strengthened the SAM's anchoring capability on NiOx and improved the hole extraction at the perovskite/HTL interface. Moreover, the NaIO4 treatment facilitated Na+ diffusion within the perovskite layer and minimized phase separation, thus improving device stability. As a result, single‐junction perovskite solar cells with a 1.68 eV bandgap achieve a power conversion efficiency (PCE) of 23.22% for an area of 0.12 cm2. Perovskite/silicon tandem cells with an area of 1 cm2 reached a PCE of 30.48%. Encapsulated tandem devices retained 95% of their initial PCE after 300 h of maximum power point tracking under 1‐sun illumination at 25 °C. [ABSTRACT FROM AUTHOR]

The conversion of CO2‐H2 mixtures on Ni‐based catalysts can proceed through either the reverse water gas shift reaction (RWGS) path to produce CO or the CO2 methanation path to produce CH4. The balance between these competing reactions depends on both the reaction conditions and catalyst structure. In this study, using surface‐sensitive infrared and ambient pressure X‐ray photoelectron spectroscopies, we investigate the effect of reaction conditions on the interaction between CO2 and H2 on a Ni(111) model catalyst. Our findings highlight the occurrence of RWGS, involving direct dissociation of CO2 to CO and atomic oxygen, followed by oxygen reacting with hydrogen to form H2O, and CO and H2O desorption. Hydrogen affects the distribution of CO between hollow and top sites by displacing oxygen from the energetically preferred hollow sites. The overall balance between oxygen production from CO2 dissociation and oxygen removal by hydrogen governs the oxygen coverage and consequently the distribution of CO between top and hollow sites. This balance is significantly influenced by the reaction temperature and the H2/CO2 partial pressures. [ABSTRACT FROM AUTHOR]

Ce and Zr oxides have been tested in the oxidation of cyclohexane to KA oil because of the possibility to tune their crystal structure and redox properties by introducing defects, and of modifying their mechanical and thermal stability. The redox properties of the two oxides, prepared by the inverse microemulsion technique, have been tuned by homogeneously including Cu or Fe (10 % molar) into their structures. These modifications led to very different behaviours in terms of both KA oil productivity and K/A ratios, especially upon undergoing reduction treatment, being the reduced Cu‐modified CeO2 oxide the most active catalyst, able to produce 2.2 mmol of KA oil after 5 hours with 93.2 % selectivity (K/A 2.6). The materials obtained have been characterized by solid state analytical techniques to study their structure, morphologies as well as their bulk and surface chemistry (STEM/EDX, BET, XRD, XPS). [ABSTRACT FROM AUTHOR]

Halloysite nanotubes (HNTs) have attracted considerable attention due to their unique properties and wide range of applications. This review explores HNT‐based nanocomposites, focusing on their preparation methods and improvements in mechanical, thermal, and barrier properties. Various synthesis techniques, including solution mixing, melt compounding, in situ polymerization, and surface modification, are discussed, along with their benefits and limitations. The role of HNT characteristics such as aspect ratio, dispersion, and surface chemistry in enhancing nanocomposite properties is examined. HNTs significantly boost mechanical properties, including tensile strength, Young’s modulus, and toughness, due to their reinforcement effects. Improved dispersion and interfacial adhesion between HNTs and the polymer matrix enhance these properties. HNTs also act as thermal barriers, improving heat resistance and dimensional stability, while enhancing barrier properties against gases and moisture. These synergistic effects allow for the customization of nanocomposites for specific applications in packaging, automotive, electronics, and biomedical fields. Future research should focus on optimizing synthesis methods and processing techniques to further improve HNT‐based nanocomposites’ performance. This review provides a comprehensive overview of HNT‐based nanocomposites, offering valuable insights for advancing nanomaterials science and engineering. [ABSTRACT FROM AUTHOR]

Flash sintering was officially discovered about fifteen years ago as a ground-breaking method to consolidate ceramics in very short time at furnace temperature much lower than that used for conventional sintering. Since then, it has been applied to several ceramics and composites with the common feature of being characterized by a negative temperature coefficient for resistivity while few attempts have been made on materials with metal-like electronic conduction. In the present overview the results of the investigation carried out in the last years aiming at consolidating tungsten carbide and zirconium diboride by flash sintering are reported and the conditions for inducing a thermal runaway phenomenon like in other ceramics and understand the physical mechanisms behind the flash effect are analysed. The investigation allows to point out the importance of the fundamental processing variables like the applied pressure and voltage for obtain high density material. The key role of the starting particles' surface chemistry is identified to generate specific microstructures and determine peculiar physical and mechanical properties in the flash sintered ceramic. [ABSTRACT FROM AUTHOR]

This study delves into the intricate interactions between surface‐near species, OH and H2O, on electrodes in electrochemical interfaces. These species are an inevitable part of many electrocatalytic energy conversion reactions such as the oxygen reduction reaction. In our modeling, we utilize high statistics on a dataset of complex solid solutions with high atomic variability to show the emergence of H2O‐metal covalent bonds under specific conditions. Based on density functional theory (DFT) calculations of adsorption energies on many thousands of different surface compositions, we provide a quantifiable physical understanding of this induced water covalency, which is rooted in simple quantum mechanics. Directional hydrogen bonding between surface‐near H2O and OH, enables surface bonding electrons to delocalize, mediated by near‐symmetrical adsorbate resonance structures. The different adsorbate resonance structures differ by surface coordination explaining the induced H2O‐metal bonding. [ABSTRACT FROM AUTHOR]