Langmuir [JOURNAL]
Sun
200 papers
Engineering Hydrogen Halide Leak Sensing on Metal-Modified InSe Monolayers: Distinct Roles of Mo and W.
Yang F, Peng Y, Gui Y … +4 more , Tao J, Zhang J, Zhang Q, Xu L
Langmuir · 2026 Jun · PMID 42360232 · Publisher ↗
Leakage of corrosive hydrogen halides (HCl, HBr, HI) poses severe environmental and safety risks in industrial processes, necessitating high-performance sensor materials with balanced adsorption-desorption properties. He...
Leakage of corrosive hydrogen halides (HCl, HBr, HI) poses severe environmental and safety risks in industrial processes, necessitating high-performance sensor materials with balanced adsorption-desorption properties. Herein, we systematically investigate the hydrogen halide sensing performance of pristine and Ir/Mo/W-decorated InSe monolayers using first-principles calculations. All three transition metals form thermodynamically stable configurations on InSe with binding energies of - 3.233 eV (Ir), - 3.941 eV (Mo), and - 3.337 eV (W). Pristine InSe exhibits negligible interaction with hydrogen halides, with adsorption energies ranging from - 0.239 to - 0.377 eV. Metal modification dramatically enhances adsorption strength, reducing adsorption distances from 4.160 to 4.253 Å to 2.360-2.711 Å and inducing significant electronic response. Mo-InSe achieves an optimal balance for HBr and HI detection, with room-temperature recovery times of 1.14 and 5.88 s, respectively. W-InSe shows the strongest adsorption toward all three gases and achieves suitable recovery under moderate heating (12.93 s at 328 K for HCl, 13.27 s at 378 K for HBr, 12.94 s at 358 K for HI). This work demonstrates that metal-modified InSe monolayers offer a tunable platform for hydrogen halide sensing, covering both room-temperature reusable and heat-assisted recovery applications.
Microstructure Regulation of Hard Carbon through a Sacrificial Pore-Forming Strategy for High-Rate Sodium Storage.
Liu J, Sun Y, Hai C … +6 more , Xu Y, Ma L, Dong S, Xu Q, He X, Zhou Y
Langmuir · 2026 Jun · PMID 42360162 · Publisher ↗
Hard carbon is considered one of the most promising anode materials for sodium-ion batteries due to its high structural tunability, low working potential, and stable cycling stability. However, the trade-off relationship...
Hard carbon is considered one of the most promising anode materials for sodium-ion batteries due to its high structural tunability, low working potential, and stable cycling stability. However, the trade-off relationship between sloping capacity and plateau capacity in the regulation of specific surface area, pore structure, and interlayer spacing limits the improvement of its rate performance and sodium storage capacity. To address this issue, based on a green phenolic resin precursor system, this work introduces polyvinylpyrrolidone (PVP) as a "sacrificial pore-forming agent" to regulate the evolution of the surface structure and pores of hard carbon. Research indicates that PVP undergoes vigorous decomposition during high-temperature carbonization, significantly inhibiting the ordered stacking of graphitic microcrystals via an in situ gas-phase etching effect, and inducing the formation of abundant surface defects, open channels, and closed-pore structures. The optimized hard carbon sample, HC-PVP-10%, exhibits a high reversible capacity of 335 mAh g at 0.1 C and maintains competitive rate performance of 235 mAh g at a high rate of 5 C. Structural characterizations such as X-ray diffraction and Raman, electrochemical performance analysis, and density functional theory calculation results collectively confirm that the material follows an "adsorption-intercalation-filling" sodium storage mechanism. This work not only deepens the fundamental understanding of the structure-property relationships of hard carbon materials but also provides insights for the preparation of next-generation high-energy-density and fast-charging sodium-ion battery anodes.
Phase Transition of Gastrointestinal Mucins in the Presence of Multivalent Ions.
Zhao YH, Zhang LM, Sun XL … +1 more , Jia D
Langmuir · 2026 Jun · PMID 42359957 · Publisher ↗
Gastrointestinal mucus is the first line of defense against bacteria, and it acts as a responsive biomaterial to multivalent ions. However, their phase behaviors and related physical mechanisms with multivalent ions are...
Gastrointestinal mucus is the first line of defense against bacteria, and it acts as a responsive biomaterial to multivalent ions. However, their phase behaviors and related physical mechanisms with multivalent ions are still poorly understood. Here, we reveal the order of ion binding affinity to gastrointestinal mucins, which goes against the Hofmeister series. We also provide a map of their phase diagrams with different multivalent ions, including re-entrant phase behaviors with trivalent and tetravalent ions and irreversible phase separation with divalent ions except Mg, which rather stabilizes mucin solutions. Surprisingly, our results in an extremely complex biological system can be well described by theories of simple polyelectrolytes, providing insights into the underlying physics. Combined with theory and the proof-of-concept studies, we reveal the physical mechanisms in the phase transition, including the bridging effect, the charge-reversal mechanism, and self-redissolution with trivalent ions due to the disruption of coordination complexes. Additionally, redissolution of the mucin-rich solid phase by exogenous ions is dominated by competitive ion condensation over the Debye electrostatic screening. This work could provide physical strategies to develop new methods and drugs for gastrointestinal mucus health improvement and therapeutics, such as enhancing the absorption of essential trace elements through gastrointestinal mucus by utilizing competitive ion condensation.
Hexagonal Scandium Phosphide Monolayer: A High-Performance Anode for Alkali Metal-Ion Batteries.
Yu M, Du Z, Gao H … +4 more , Cheng Z, Hu P, Fang Y, Tang C
Langmuir · 2026 Jun · PMID 42359795 · Publisher ↗
Two-dimensional (2-D) materials with robust structural stability and high surface activity are promising candidates for advanced alkali metal-ion batteries (AIBs) electrodes. Here, we systematically evaluate the potentia...
Two-dimensional (2-D) materials with robust structural stability and high surface activity are promising candidates for advanced alkali metal-ion batteries (AIBs) electrodes. Here, we systematically evaluate the potential of hexagonal scandium phosphide (-ScP) monolayer as an AIB anode through first-principles calculations. The -ScP monolayer exhibits good thermal stability and dynamic stability, with a semiconducting bandgap of 1.612 eV that transitions to metallic states upon alkali metal-ion adsorption. Strong interfacial interactions are confirmed by negative adsorption energies and significant charge transfer. Ultralow diffusion barriers (0.216 eV for Li, 0.308 eV for K) and high theoretical capacities (>1200 mA h g for K) are achieved, along with low average open-circuit voltages (<0.33 V for Na/K). Ab initio molecular dynamics simulations validate structural reversibility and thermal stability under high-temperature operational conditions. These comprehensive properties position -ScP monolayer as a superior anode candidate for high-performance AIBs.
Polypyrrole-Modified Lead-Free Perovskite Heterojunctions to Facilitate Charge Separation for Photocatalytic Oxidation of Benzylamine.
Deng Y, Zhu H, Chen K … +6 more , Zhou J, Li Y, Yang L, Fan Q, Xie Z, Le Z
Langmuir · 2026 Jun · PMID 42359790 · Publisher ↗
Integrating electron-donor and electron-acceptor components into a heterojunction photocatalyst presents a significant challenge for enhancing light harvesting and charge separation. Meanwhile, developing efficient and s...
Integrating electron-donor and electron-acceptor components into a heterojunction photocatalyst presents a significant challenge for enhancing light harvesting and charge separation. Meanwhile, developing efficient and selective photocatalysts for aerobic oxidative coupling of benzylamine under mild conditions remains highly desirable. Herein, we construct a polypyrrole-CsAgBiBr heterojunction via an in situ growth strategy, in which polypyrrole nanostructures serve as highly efficient conducting polymer nanoarchitectures (CPNs) to promote charge dynamics. As a heterogeneous photocatalyst for the aerobic oxidation of benzylamine at ambient temperature, the optimized PPy-CABB composite delivers a remarkably enhanced imine production rate of 4762 μmol·g·h, accompanied by an apparent quantum yield (AQY) of 20.1%. Under strictly identical reaction conditions, the composite exhibits higher catalytic activity and broad substrate tolerance than the reference composites tested in this work. Systematic experiments reveal that the incorporation of PPy CPNs significantly facilitates interfacial charge separation and migration, thereby suppressing electron-hole recombination and promoting the generation of reactive oxygen species such as superoxide radicals (O) and singlet oxygen (O). This work highlights the pivotal role of CPNs in advancing heterojunction photocatalysis and offers a feasible strategy for designing efficient light-harvesting systems toward solar-energy conversion.
Dual Channel of Time-Coded Fluorescence Materials Constructed by Europium-Dynamic Covalent Surfactant and Carbon Quantum Dots for Information Encryption.
Sun Z, Li C, Mao Y … +2 more , Li Y, Wang L
Langmuir · 2026 Jun · PMID 42359537 · Publisher ↗
With the increasingly prominent role of information security in data confidentiality, a variety of information encryption strategies have emerged. Herein, a dual-channel information encryption strategy based on lanthanid...
With the increasingly prominent role of information security in data confidentiality, a variety of information encryption strategies have emerged. Herein, a dual-channel information encryption strategy based on lanthanide ions and carbon quantum dots (CQDs) is proposed, which significantly enhances the security of information encryption. In this system, a luminescent lanthanide material is prepared through lanthanide ions and dynamic covalent bond surfactants. With further introduction of CQDs, the significant difference in excitation wavelengths between lanthanide ions and CQDs (365 nm for CQDs and 254 nm for Eu/Tb) enables the realization of excitation wavelength-channel information encryption. Owing to the chemical reaction and coordination effects at specific pH levels regulated by the hydrolysis time of d-(+)-gluconic acid δ-lactone (δ-GL), the fluorescence intensity exhibits time-dependent tunability, thus achieving the time-gated channel information encryption strategy. Decryption requires the simultaneous acquisition of wavelength and time keys, providing a novel strategy for the development of intelligent and high-security dynamic encryption materials.
Work-Function-Resolved Imaging of Relaxation Oscillations and Local Kinetic Heterogeneities in CO Oxidation over Platinum Surfaces.
Vařeka K, Potoček M, Kovařík M … +5 more , Očkovič A, Šikola T, Wang ZJ, Bábor P, Kolíbal M
Langmuir · 2026 Jun · PMID 42358066 · Publisher ↗
Chemical waves of CO oxidation on platinum surfaces exhibit complex spatiotemporal self-oscillations, yet the local electronic mechanisms driving their propagation remain poorly understood under operando conditions. In t...
Chemical waves of CO oxidation on platinum surfaces exhibit complex spatiotemporal self-oscillations, yet the local electronic mechanisms driving their propagation remain poorly understood under operando conditions. In this work, we combine operando scanning electron microscopy with frequency-modulated Kelvin probe force microscopy (FM-KPFM) to simultaneously map secondary electron contrast and local work-function variations during CO oxidation on Pt. By utilizing the KPFM tip as a localized sensor, we provide the first work-function-resolved imaging of reaction fronts, enabling an unambiguous physical assignment of CO- and oxygen-covered states. Our results demonstrate that the transition and expansion of adsorbate phases are characterized by a pronounced temporal asymmetry and spatial heterogeneity. KPFM identifies a rapid onset of oxygen coverage followed by a gradual, diffuse relaxation back to the CO-covered state, indicative of relaxation-type oscillations even at low pressures (10 Pa). Correlative reaction-diffusion simulations reproduce this wave morphology, confirming that the high-resolution work-function signal provides unique insights into the internal structure and kinetic heterogeneity of the working catalyst surface.
Molecular Insights into the Transition from Elastohydrodynamic to Boundary Lubrication: Unveiling Mechanistic Changes.
Qiao Y, Zhang L, Yang S … +2 more , Xu X, Liang X
Langmuir · 2026 Jun · PMID 42357859 · Publisher ↗
The continued miniaturization of mechanical systems under increasing loads confines lubricants to only a few molecular layers, driving a transition from elastohydrodynamic lubrication (EHL) to boundary lubrication (BL) g...
The continued miniaturization of mechanical systems under increasing loads confines lubricants to only a few molecular layers, driving a transition from elastohydrodynamic lubrication (EHL) to boundary lubrication (BL) governed by molecular-scale transport mechanisms. How momentum and energy transport evolve across this transition remains unclear. This article establishes a unified molecular picture linking elastohydrodynamic lubrication and boundary lubrication for confined polyalphaolefin (PAO) films, achieved by continuously reducing their thickness from the continuum regime to a monolayer. It is shown that the lubrication transition is governed by a fundamental shift in the dominant mechanisms of momentum and heat transport. In the EHL regime, wall slip arises from a mismatch between molecular momentum relaxation and the imposed shear time scale. Under ultrahigh pressure, this mismatch is amplified, strongly enhancing slip, suppressing bulk viscous dissipation, and producing a pressure-induced temperature plateau within the lubricant. With increasing confinement, cross-wall molecular adsorption dominates interfacial momentum transfer, leading to anomalously large slip even at low pressure and culminating in near-complete slip in the monolayer limit. Upon entering the BL regime, heat generation becomes interface-dominated, breaking down the classical parabolic temperature profile and yielding an almost uniform film temperature. By explicitly accounting for velocity slip and temperature jump, a universal expression for the average lubricant temperature that rationalizes the confinement-induced transition in heat-generation mechanisms is set up. Moreover, a qualitative analysis is performed on the film-thickness dependence of density, viscosity, and the coefficient of friction, followed by fitting a viscosity-thickness relationship. Finally, we reveal that ultrahigh pressure drives a glass-like amorphization of confined lubricants, strongly suppressing thermal conductivity through enhanced phonon scattering, while shear-induced molecular ordering prior to compression mitigates this collapse. These results bridge EHL and BL at the molecular level and provide a physically grounded framework for extending continuum lubrication models into the nanometer regime.
Leaf-Inspired Layered Hydrogel with Spatially Selective Ag/AgS Formation for Photothermal Antibacterial Therapy and Strain Sensing.
Xu Y, Liang J, Du Y … +3 more , Zhang C, Zhang Z, Liu B
Langmuir · 2026 Jun · PMID 42350296 · Publisher ↗
The overuse of antibiotics has accelerated the emergence and spread of drug-resistant microorganisms, creating an urgent need for anti-infective materials with integrated therapeutic and monitoring functions. Herein, a l...
The overuse of antibiotics has accelerated the emergence and spread of drug-resistant microorganisms, creating an urgent need for anti-infective materials with integrated therapeutic and monitoring functions. Herein, a leaf-inspired porous layered hydrogel, HEVCTM, was developed for photothermal antibacterial treatment and flexible sensing. The precursor hydrogel, HEVCTM, was first prepared by one-pot free-radical polymerization of the hydrophilic functional monomer VIM-CAT, the hydrophobic monomer TBA-MA, and hydroxyethyl acrylamide (HEAA). After immersion in AgNO solution, spatially selective formation of Ag/AgS was induced within the hydrogel. Specifically, Ag was in situ reduced to metallic Ag by the surface-enriched hydrophilic VIM-CAT, while AgS was generated in the middle region under the induction of hydrophobic TBA-MA, leading to the spontaneous formation of a sandwich-like layered architecture. Owing to the introduction of AgS, the hydrogel exhibited an enhanced near-infrared (NIR) photothermal response and achieved antibacterial efficiencies of 99% against and 98% against . Meanwhile, the surface Ag layer endowed the hydrogel with good electrical conductivity and stable strain sensitivity, enabling real-time monitoring of human motions, including finger bending, frowning, and wrist bending. This work provides a simple strategy for constructing layered hydrogels with integrated photothermal antibacterial and flexible sensing functions and offers new insight into anti-infective flexible electronics.
Effect of Mixed Valence Cu-In Bimetallic Oxides on Promoting Electrocatalytic Reduction of CO to CO.
Zhang Y, Sun T, Liu T … +2 more , Zhang C, Harada M
Langmuir · 2026 Jun · PMID 42348665 · Publisher ↗
The emission of carbon dioxide represents a severe threat to human survival. To alleviate this predicament, converting CO into high-value products through electrocatalysis is a promising option. This study investigated t...
The emission of carbon dioxide represents a severe threat to human survival. To alleviate this predicament, converting CO into high-value products through electrocatalysis is a promising option. This study investigated the electrocatalytic performance of Cu-In bimetallic oxide, CuO, and InO, which were synthesized by a hydrothermal synthesis followed by calcination method. The catalysts were characterized by X-ray Diffraction, X-ray Photoelectron Spectroscopy, X-ray Absorption Spectroscopy,Scanning Electron Microscopy,Transmission Electron Microscopy and Density Functional Theory. The composition, structure, distribution and valence of elements, surface morphology, specific surface area and pore size of the catalyst were analyzed. Their electrocatalytic performance for CO electrocatalytic reduction reaction was evaluated. The findings revealed that the Cu-In bimetallic mixed oxide exhibits a mixed valence state of Cu and Cu for the Cu element. The distinctive elemental composition and optimized valence state distribution of the catalyst were found to significantly enhance its electrochemical performance in the electrocatalytic reduction of carbon dioxide toward CO production. When operated at an applied potential of -0.8 V vs. RHE, efficiency of 95.82%, demonstrating excellent hydrogen suppression and high CO selectivity.
Synergistic Modulation of MOF-Derived Cu-Doped MnO over Porous AlO Ceramics: Toward High-Performance Toluene Catalytic Oxidation.
Zhou M, Cao M, Jin X … +4 more , Yang J, Wang Z, Dong L, Yang F
Langmuir · 2026 Jun · PMID 42348275 · Publisher ↗
Advancing the efficient and comprehensive control of volatile organic compounds (VOCs) is a critical cornerstone for establishing global atmospheric pollution prevention systems and achieving long-term improvements in ai...
Advancing the efficient and comprehensive control of volatile organic compounds (VOCs) is a critical cornerstone for establishing global atmospheric pollution prevention systems and achieving long-term improvements in air quality. Although catalytic oxidation is an effective technology for VOCs removal, its practical application is often limited by catalyst sintering and poor low-temperature activity. This study investigates the grain refinement and surface defect engineering of Cu-doped MnO spinel catalysts derived from metal-organic frameworks (MOFs) for low-temperature toluene oxidation. By controllably introducing Cu, crystal growth is effectively suppressed, and lattice distortion is induced, thereby increasing the density of surface defects. The optimized CuMnO sample exhibits enhanced surface oxygen mobility and modified cation distribution, promoting efficient oxygen activation and redox cycling, which significantly improves low-temperature catalytic activity, achieving a value of 215 °C. Simultaneously, when the CuMnO catalyst was loaded onto porous AlO ceramic, the gas diffusion efficiency was improved, and the agglomeration of the powder catalyst was effectively inhibited. The obtained CuMnO/C catalyst reached at 210 °C and maintained excellent stability during the toluene degradation test under 3 vol.% water vapor conditions for 50 consecutive hours. By integrating defect engineering with macroscopic structural design, this work elucidates the intrinsic structure-activity relationship, offering a practical strategy for doping engineering of transition metal oxide catalysts and their integration onto porous ceramic supports.
Molecular Dynamics Simulation of NTO/TNPyO Co-Crystals for Targeted Acidity Regulation of NTO.
Zhang Y, Yu Z, Xu H … +6 more , Zhou L, Zhang X, Peng W, Zhang P, Chen H, Zhuang Z
Langmuir · 2026 Jun · PMID 42347772 · Publisher ↗
3-Nitro-1,2,4-triazol-5-one (NTO) exhibits acid corrosion due to facile proton dissociation at the N4 site (p = 3.76), limiting practical applications. To mitigate this, we cocrystallized NTO with 2,4,6-trinitropyridine...
3-Nitro-1,2,4-triazol-5-one (NTO) exhibits acid corrosion due to facile proton dissociation at the N4 site (p = 3.76), limiting practical applications. To mitigate this, we cocrystallized NTO with 2,4,6-trinitropyridine 1-oxide (TNPyO) using MATERIALS STUDIO 2023 software across stoichiometric ratios from 4:1 to 1:4. Supercell models for NTO/TNPyO were constructed. We employed the density functional theory and molecular dynamics methods to simulate the possibility of the existence of the cocrystal and analyze the intermolecular forces and variation in N4-H4 bond length in NTO. The stability, mechanical properties, and other characteristics of cocrystals were predicted. The study focused on reinforcing intermolecular hydrogen bonding to stabilize the N4-H4 group, raising the proton dissociation energy barrier, and inhibiting H release. This strategy resulted in a 2.8-unit p increase for the cocrystal compared to that of pure NTO, thereby attenuating NTO acidity. The detonation performance and products for pure NTO, TNPyO, and the cocrystal system were predicted with EXPLO-5 software. The results demonstrate interactions between NTO and TNPyO molecules, indicating cocrystal formation potential with an optimal 2:1 molar ratio, where the cocrystal shortens the N4-H4 bond length to enhance stability, prevents proton ionization, and suppresses acidity primarily through hydrogen bonding (validated statistically), electrostatic interactions, dispersion, and van der Waals forces; they have the potential to become novel noncorrosive, insensitive energetic materials that maintain low sensitivity and excellent mechanical and detonation properties.
Accelerating Charge-Carrier Dynamics via Boron Doping in BiYOCl Nanosheets for Efficient Visible-Light Photocatalytic Degradation of Tetracycline Hydrochloride.
Peng Y, Zi X, Peng J … +3 more , Xu L, Wang M, Liu Y
Langmuir · 2026 Jun · PMID 42347752 · Publisher ↗
The sluggish charge-carrier dynamics during photocatalytic reactions represent a practical obstacle restricting the development and application of BiYOCl (BY) photocatalysts. To address this issue, herein, boron (B)-dope...
The sluggish charge-carrier dynamics during photocatalytic reactions represent a practical obstacle restricting the development and application of BiYOCl (BY) photocatalysts. To address this issue, herein, boron (B)-doped BY nanosheets were synthesized via a facile one-step hydrothermal approach and employed for the degradation of organic pollutants. Density functional theory (DFT) calculations and experimental results confirm that B-doping significantly enhances carrier kinetics, facilitating efficient charge separation and subsequent transfer. Meanwhile, B-doping leads to a downshift of the valence band maximum (VBM) of BY, thereby enhancing the oxidizing capability of the photogenerated holes. As a result, the B-doped BY nanosheets exhibit excellent visible-light photocatalytic performance toward tetracycline hydrochloride (TCH) degradation, with a rate constant of 0.019 min, which is 2.8 times higher than that of undoped BY. This work provides deeper insights into the intrinsic relationship among doping, charge-carrier dynamics, and photocatalytic performance.
Ab Initio Modeling of Ion Interactions in PEDOT:PSS-PEO Polymer Systems and Experimental Observations in Corona Charging.
Zhang Y, Yurkiv V, Mashayek F … +4 more , Farer R, Pourdeyhimi B, Lauricella M, Yarin AL
Langmuir · 2026 Jun · PMID 42345539 · Publisher ↗
This study investigates how ions generated during corona discharge, like protonated water clusters HO(HO), O, NO, and CO (here and hereinafter an unpaired electron is indicated by the dot), interact with a conducting PED...
This study investigates how ions generated during corona discharge, like protonated water clusters HO(HO), O, NO, and CO (here and hereinafter an unpaired electron is indicated by the dot), interact with a conducting PEDOT:PSS-PEO blend containing 52 wt % PEO, a composition previously shown to possess near-metallic level conductivity. Using first-principles calculations, we identify potential adsorption sites, quantify adsorption energies, and analyze structural and electronic responses to adsorption. Negative ions exhibit weak, largely physisorptive interactions governed by electrostatic polarization, whereas hydronium-like cations bind strongly via proton transfer to PSS sulfonate groups, forming stable -SOH motifs. Charge-density-difference maps reveal local polarization for anions and clear charge transfer for cations. The pristine polymer model displays a very small band gap (∼0.1 eV), consistent with prior work, and ion adsorption perturbs the electronic structure in ways that may influence charge trapping and retention. These results suggest a mechanistic asymmetry for electret formation (a quasi-permanently charged dielectric): cations are chemically anchored, while anions are more likely to deliver transient charge or remain weakly bound, implications that inform corona-charging strategies for fiber filter media. Experimental observations are also included to demonstrate physical manifestations of charging conducting polymers incorporated in dielectric systems. Not only was a visible thunderbolt directed toward a conducting polymer "island" observed and macroscopically interpreted but also the Joule heating associated with it caused an observable waviness in the surrounding dielectric matrix which was explained. Direct corona charging using embedded conducting polymer "islands", as introduced and explored in the present work, is proposed as a potentially complementary method in filter media, alongside corona poling which is pure polarization.
Bypassing First-Stage Degradation via Preconversion Interface Engineering in Iron Oxalate Anodes.
Gao G, Zhang H, Zhang S … +7 more , Tang J, Li Y, Hu J, Zhang K, Liang F, Yang B, Yao Y
Langmuir · 2026 Jun · PMID 42345345 · Publisher ↗
Oxalate-based anodes are attractive high-capacity candidates for lithium-ion batteries, but their practical application is hindered by severe first-stage degradation during early cycling. Here, combined experimental and...
Oxalate-based anodes are attractive high-capacity candidates for lithium-ion batteries, but their practical application is hindered by severe first-stage degradation during early cycling. Here, combined experimental and theoretical analyses suggest that the early-stage irreversibility of iron oxalate is driven by interfacial chemical degradation of oxalate groups, with possible mechanical damage accelerating failure by exposing fresh reactive surfaces. Guided by this mechanism, we develop a preconversion interfacial engineering strategy by thermochemically preforming an FeO passivation layer on the surface of iron oxalate and other functional components are incorporated prior to cycling. The resulting FeO layer passivates reactive oxalate groups and regulates the interfacial chemistry of the iron oxalate particles. Meanwhile, auxiliary functional components, including the conductive graphite framework and elastic polyacrylonitrile shell, may enhance the charge transport and accommodate volume variation. As a result, the engineered electrode delivers a second-cycle Coulombic efficiency of 92% and 96% capacity retention over the first six cycles, significantly outperforming that of pristine iron oxalate (75% and 68%, respectively). At 0.5 A g, it retains 897 mAh g after 100 cycles and 1053 mAh g after 300 cycles. This work establishes a preconversion interfacial passivation strategy for stabilizing chemically reactive oxalate-based conversion anodes.
Plasma-Enhanced Salt-Templated Nanoarchitectonics of Poplar-Based Carbon Material into Hierarchical Micromesopore Frameworks for High-Performance Supercapacitor Electrodes.
Zhang J, Zhan Z, Lin L … +2 more , Wang X, Wang Q
Langmuir · 2026 Jun · PMID 42345260 · Publisher ↗
To address the small specific surface area and poor rate capability performance of current wood-based carbon materials, this study relies on the natural pores of wood itself to build an efficient interconnected ion trans...
To address the small specific surface area and poor rate capability performance of current wood-based carbon materials, this study relies on the natural pores of wood itself to build an efficient interconnected ion transport network. The pretreatment of direct-current (DC) arc discharge at high temperatures and the salt template method were adopted jointly to stabilize the base and fill the pores, thereby realizing the precise control of the internal structure of wood. In addition, starting from the pits on the walls of longitudinally arranged channels in wood, a way is developed to achieve an artificial customized pore structure and construct wood-based carbon materials with a suitable micro/mesopore ratio. The optimal composite electrode has a high specific capacitance of 159.07 F g, a high specific surface area of 575 m g, and excellent cyclic stability with a capacitance retention of up to 96.5% after 10,000 cycles. It is expected that this pore-making technology combining high-temperature discharge and a green inorganic salt solid base will open an avenue for exploring the effective performance improvement of biomass-based carbon materials. The DC arc discharge method also provides a direction for the capacitance improvement of electrode materials and inspirations for the design of green, simple, and efficient electrode preparation methods with great reproducibility. This research is of great significance for promoting the development and application of supercapacitor electrodes.
From Solubilization to Structural Perturbation: The Mechanism of Polyquaternium-51-Driven Enhanced Transdermal Delivery of Glabridin.
Hu Z, Dong S, Huang J … +6 more , Zhang L, Hu Z, Wang H, Qin L, Tangthianchaichana J, Lu Y
Langmuir · 2026 Jun · PMID 42345215 · Publisher ↗
Effective delivery of hydrophobic drugs across the skin's stratum corneum remains a major challenge in transdermal drug delivery. Traditional solubilizing carriers, such as cyclodextrins, often suffer from overly strong...
Effective delivery of hydrophobic drugs across the skin's stratum corneum remains a major challenge in transdermal drug delivery. Traditional solubilizing carriers, such as cyclodextrins, often suffer from overly strong drug binding that creates an interfacial release barrier. Moreover, they have limited ability to modulate the barrier structure of the stratum corneum itself. This study demonstrates a novel "carrier-driven" enhancement mechanism, where a "weakly-binding" carrier actively and reversibly disrupts the stratum corneum lipid organization to reduce the permeation energy barrier. We selected hydroxypropyl-β-cyclodextrin (HP-β-CD) and polyquaternium-51 (PMB) as model carriers, with the hydrophobic drug glabridin (GLD) as the model compound. Using an integrated approach of molecular dynamics (MD) simulations and multiple experimental techniques, we systematically elucidated the fundamental differences between these two delivery systems. First, MD simulations revealed the assembly mechanisms of HP-β-CD and PMB with glabridin in aqueous solution. Subsequently, the dominant conformations of these complexes were placed atop a mixed lipid bilayer to simulate the permeation process of glabridin. The permeation energy barriers were quantified using umbrella sampling simulations. These computational findings were strongly supported by experimental data from laser confocal microscopy, scanning electron microscopy, histology (HE staining), differential scanning calorimetry, and infrared spectroscopy. The results indicate that PMB, due to its flexible polymeric chain structure, exhibits a stronger affinity for skin lipids than HP-β-CD. Upon interacting with the skin lipids, PMB not only promotes the release of glabridin from the aqueous complex but also disrupts the tightly packed organization of the lipid bilayers. This dual action significantly facilitates the penetration of glabridin into deeper layers of the skin barrier. The novel mechanism elucidated in this work provides an innovative design strategy for developing the next generation of efficient and safe transdermal delivery systems.
Scalable Fabrication of 4 nm Silicon Nanopores by Self-Limiting Metal-Assisted Chemical Etching Combined with Optical Process Control.
De Ferrari F, Enrico A, Leva CV … +4 more , Raja SN, Herland A, Niklaus F, Stemme G
Langmuir · 2026 Jun · PMID 42345197 · Publisher ↗
Solid-state nanopores in ultrathin (<20 nm) membranes enable label-free single-molecule sensing, but their adoption as sensors is limited by the lack of scalable manufacturing methods that deliver nanopores with single-n...
Solid-state nanopores in ultrathin (<20 nm) membranes enable label-free single-molecule sensing, but their adoption as sensors is limited by the lack of scalable manufacturing methods that deliver nanopores with single-nanometer reproducibility. Self-limiting metal-assisted chemical etching (MACE) in silicon-on-insulator (SOI) membranes offers a parallel wet-chemical route for nanopore fabrication, yet prior demonstrations lacked a predictive design rule and required electron microscopy or electrical tests for confirming presence and number of pores. Here, we convert self-limiting MACE into a manufacturing-oriented workflow with optical process control to obtain and verify the formation of 4 nm nanopores in a scalable fashion. We decouple the deposition of 200 ± 10 nm gold (Au) nanoparticles from etching, enabling independent optimization of the two steps. The nanoparticle size allows for particle-per-membrane counting by dark-field optical microscopy, so that deposition can be repeated when counts are below target. We then map etching behavior across Au nanoparticle diameter (10-200 nm) and silicon (Si) device-layer thickness (5-18 nm), finding that / ≥ 0.8 ratio predicts self-limiting MACE behavior, where pore diameter becomes independent of particle size. In this regime, 200 ± 10 nm catalysts yield 4 ± 1 nm pores, corresponding to a reduction of ∼50× in pore diameter and ∼10× in pore-diameter variability compared to the catalyst diameter and related variability. Successful through-membrane pore formation produces undercuts in the buried oxide (typically ∼200-300 nm diameter) beneath each pore, which can be characterized for each membrane by bright-field microscopy and used as a proxy for the otherwise optically invisible 4 nm pores. Together, the predictive / framework and two-stage optical verification establish a scalable wet-chemical route to fabricate nanopores for biomolecular sensing and related nanofluidic devices.
Synergistic Fluorine Doping and Oxygen Vacancy Formation in Hematite Photoanodes via Solid-State Thermite Defect Engineering.
Nie J, Yin Y, Jiang J … +3 more , Zhang Y, Bao Z, Ma Z
Langmuir · 2026 Jun · PMID 42345190 · Publisher ↗
Defect engineering such as doping is a crucial strategy to overcome the sluggish charge transfer kinetics of metal oxide photoanodes. Fluorine doping of metal oxide photoanodes, such as hematite (α-FeO), conventionally r...
Defect engineering such as doping is a crucial strategy to overcome the sluggish charge transfer kinetics of metal oxide photoanodes. Fluorine doping of metal oxide photoanodes, such as hematite (α-FeO), conventionally relies on fluorine-containing solutions, which often causes severe surface etching. Herein, we report a solid-state thermite defect engineering strategy to simultaneously induce F-doping and oxygen vacancies in hematite using fluororubber-coated aluminum (Al@F2311). Upon heating to 400 °C, the decomposing fluororubber effectively strips the inert Al oxide shell, triggering a localized interfacial thermite reaction. This process extracts lattice oxygen and substitutes fluorine into the near-surface region without disrupting the bulk structure. The resulting dual-defect Hem-AlF photoanode achieves a photocurrent density of 1.13 mA cm at 1.23 V vs RHE, which is a 5.65-fold enhancement over pristine hematite. This improvement originates from a synergistically increased donor density, minimized interfacial charge transfer resistance, and reaction-induced surface hydrophilicity (contact angle of 49.7°). This solvent-free paradigm successfully pioneers the integration of energetic material kinetics into semiconductor defect engineering.
Engineered ZIF-8 Grown on Polydopamine-Functionalized Melamine Foam for Enhanced Adsorption of Chlortetracycline Hydrochloride from Wastewater.
Bao W, Lv B, Xu L … +4 more , Shao Y, Wang J, Zhao Y, Dou X
Langmuir · 2026 Jun · PMID 42343866 · Publisher ↗
A macroscopic P-ZIF-8/PDA/MF adsorbent was fabricated by substituting conventional zinc precursors with layered porous zinc oxide (P-ZnO) on polydopamine (PDA)-functionalized melamine foam (MF). The composite exhibited e...
A macroscopic P-ZIF-8/PDA/MF adsorbent was fabricated by substituting conventional zinc precursors with layered porous zinc oxide (P-ZnO) on polydopamine (PDA)-functionalized melamine foam (MF). The composite exhibited exceptional adsorption capacity for chlortetracycline hydrochloride from wastewater, with a Langmuir-modeled maximum of 1320 mg/g at pH 6. Systematic evaluation of environmental parameters─including pH gradients, ionic strength variations, and competitive ion interference─revealed robust performance under various aqueous conditions. In addition, FT-IR and XPS analyses were performed to characterize P-ZIF-8/PDA/MF both prior to adsorption and following the adsorption process in order to clarify its adsorption behavior. The analysis indicates that the uptake by P-ZIF-8/PDA/MF mainly proceeds through monolayer chemisorption, which results from the combined contributions of hydrogen-bond interactions, π-π stacking, and pH-dependent electrostatic attraction.
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