Langmuir [JOURNAL]
Sun
200 papers
Phosphorylated Nanocellulose/Surfactant-Stabilized Middle-Phase Microemulsions for Enhanced Oil Recovery.
Cheng Y, Chang H, Su X … +3 more , Ren S, Chen B, Su R
Langmuir · 2026 Jun · PMID 42334873 · Publisher ↗
Middle-phase microemulsion flooding provides stable oil-displacing fluids which are highly desirable for enhanced oil recovery (EOR). Although nanocellulose-surfactant systems have been widely explored for emulsion-based...
Middle-phase microemulsion flooding provides stable oil-displacing fluids which are highly desirable for enhanced oil recovery (EOR). Although nanocellulose-surfactant systems have been widely explored for emulsion-based EOR, their use for stabilizing middle-phase microemulsions has been rarely reported. In this work, a novel middle-phase microemulsion flooding system was formulated by combining phosphorylated cellulose nanocrystals (P-CNCs) with a binary surfactant mix including anionic sodium dodecylbenzenesulfonate (SDBS) and amphoteric dodecyl/myristyl dimethyl hydroxypropyl sulfobetaine (HSB1214). The formulation was evaluated using -decane as a model oil, NaCl as a model brine, and sandstone cores for core flooding tests. The negatively charged P-CNC adsorbs strongly onto the mixed surfactant micelles via electrostatic interactions and hydrogen bonding, creating a robust interfacial layer. The resulting dispersion remains single-phase and stable in 4.0 wt % NaCl for over 75 days, reflecting the intrinsic macroscopic storage stability of microemulsions. Phase behavior observation, solubilization parameters (SP, SP), and dynamic/static interfacial tension (IFT) measurements collectively confirmed the optimal Winsor III middle-phase microemulsion formulation: 0.05 wt % P-CNC, 0.5 wt % SDBS/HSB1214, and 4.0 wt % NaCl. This formulation achieved a dynamic oil-water IFT of 2.4 × 10 mN/m, with static equilibrium IFT on the order of 10 mN/m. In microscopic EOR and core flooding test (core permeability 217.68 × 10 μm, porosity 24.45%), the optimized P-CNC-surfactant system effectively removed residual oil films and achieved an overall oil recovery of 88.85% (a 25.13% increment over conventional water flooding). Notably, the incorporation of P-CNC suppresses the SDBS adsorption loss rate from 81.60% to 47.06%, corresponding to a 42.34% reduction in surfactant loss, while the P-CNC retention in sandstone cores is only 17.61 μg/g, indicative of excellent pore-scale transport compatibility. Overall, the P-CNC-surfactant flooding system offers a stable, high-performance chemical EOR agent capable of ultralow IFT and robust operation under NaCl model brine conditions.
Adsorption-Induced Pore Volume Deformation: Implications for Excess Adsorption in Kerogen Matrices.
Babaei S, Kanduč M, Coasne B … +1 more , Ostadhassan M
Langmuir · 2026 Jun · PMID 42334077 · Publisher ↗
Accurately predicting gas storage in shale requires understanding how adsorption alters the porous structure of kerogen, the main organic component of the rock. Gas adsorption can induce structural deformation in the mic...
Accurately predicting gas storage in shale requires understanding how adsorption alters the porous structure of kerogen, the main organic component of the rock. Gas adsorption can induce structural deformation in the microporous framework of kerogen, thereby modifying the observed excess adsorption isotherms. However, no comprehensive investigation has addressed how accessible volume evolves during adsorption. To address this gap, we employ a hybrid grand canonical Monte Carlo/molecular dynamics simulation of both immature and overmature amorphous kerogen matrices at 363.15 K and pressures up to 50 MPa, providing molecular-level insights into this adsorption-deformation process. Among the investigated gases, CH displays the most pronounced reduction in excess adsorption at low pressures, attributed to its large molecular size. At higher pressures, excess adsorption decreases in the order CO > CH > CH > N, corresponding to roughly 50, 40, 30, and 20% reductions, respectively. Moreover, kerogen can undergo 2-9% strain at pressures up to 50 MPa, depending on gas type and kerogen structure. The Tóth model, which is a physical model that allows extending the Langmuir adsorption model to heterogeneous systems, further demonstrates that neglecting deformation-induced changes in accessible volume can lead to substantial errors when converting excess adsorption to absolute adsorption. These findings underscore the dynamic and deformable nature of kerogen, challenging the longstanding assumption of a rigid kerogen molecular structure. This has direct implications for accurately estimating gas-in-place in shale gas reservoirs and assessing storage capacity for subsurface carbon sequestration.
Single-Point versus Multi-Point Mechanical Loading in Membrane Deformation: Insights from Molecular Dynamics Simulations.
Wu W, Lu X, Dong X … +2 more , Yuan B, Yang K
Langmuir · 2026 Jun · PMID 42333708 · Publisher ↗
Cell membrane deformation is essential for key cellular functions such as endocytosis, yet the physical mechanisms governing membrane remodeling remain poorly understood. Here, we employ molecular dynamics simulations wi...
Cell membrane deformation is essential for key cellular functions such as endocytosis, yet the physical mechanisms governing membrane remodeling remain poorly understood. Here, we employ molecular dynamics simulations with an ultracoarse-grained mesoscopic membrane model to investigate force-driven membrane deformation at spatial scales relevant to endocytosis. Specifically, we compare the effects of localized single-point and distributed multipoint force loading modes on membrane deformation dynamics. Our simulations reveal that, under identical total force magnitudes, the multipoint mode drives significantly faster and more sustained deformation than the single-point mode. Moreover, the number of force points strongly influences the resulting membrane morphology, vesicle volume, and membrane bending energy changes, whereas the size of the force-loading region exerts only a modest effect. Together, these results provide a mechanical basis for understanding protein-mediated membrane remodeling.
Emulsion-Derived Production of Drug-Loaded Microgranules as an Alternative to Spray Drying.
Chatterjee S, Kabir A, Goankar V … +3 more , Sudhakar S, Patil S, Basavaraj MG
Langmuir · 2026 Jun · PMID 42333647 · Publisher ↗
Microgranules are a class of synthetic functional materials designed for the delivery of active compounds in diverse sectors, including pharmaceuticals, agriculture, food, and cosmetics. In this work, we present a scalab...
Microgranules are a class of synthetic functional materials designed for the delivery of active compounds in diverse sectors, including pharmaceuticals, agriculture, food, and cosmetics. In this work, we present a scalable emulsion-based method for fabricating microgranules with robust mechanical and structural properties. We successfully encapsulate an antidiabetic drug within these microgranules and analyze drug loading using microscopy, spectroscopy, and thermal techniques. In vitro drug release profiles are obtained and modeled to understand the underlying release mechanism. Biocompatibility assessments using the MTT assay confirm the excellent cytocompatibility of drug-loaded microgranules. Overall, the emulsion-based approach offers a versatile and scalable platform for the encapsulation and controlled release of therapeutic agents and other functional molecules.
Lattice-Induced 2D TiCT MXene and COF Supramolecular Nanohybrids for Electrocatalytic Water Splitting.
Guan Y, Fei H, Yao Q … +7 more , Zhu C, Ren Y, Li H, Cui Y, Zhang J, Li X, Zhu X
Langmuir · 2026 Jun · PMID 42333478 · Publisher ↗
Lattice-matching-guided supramolecular assembly offers a promising strategy for developing high-performance electrocatalysts for overall water splitting. This study innovatively proposes a novel supramolecular configurat...
Lattice-matching-guided supramolecular assembly offers a promising strategy for developing high-performance electrocatalysts for overall water splitting. This study innovatively proposes a novel supramolecular configuration design between TiCT MXene nanosheets and a covalent organic framework. Through the in situ growth strategy, a vertically oriented supramolecular network structure is constructed. Because of the high lattice matching, the O atoms in COF can periodically coordinate with the Ti atoms on the surface of TiCT MXene, forming matrix Ti-O-C bonds. These arrayed bonds can serve as efficient charge transfer "bridges", accelerating the interface charge transfer kinetics process. This unique architecture not only provides a path for the diffusion of electrolytes but also fully exposes catalytically active sites, which directly contribute to the enhancement of electrocatalytic performance. Specifically, it shows that the 10-TiCT@COF supramolecular nanohybrid prepared exhibits excellent catalytic activity in both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). At a current density of 10 mA cm, the HER overpotential is as low as 37 mV and only 284 mV for OER with impressive stability. Moreover, a low cell voltage of 1.558 V was achieved for the overall water splitting. This study provides a new material system and design inspiration for the development of high-performance overall water-splitting electrocatalysts through the supramolecular assembly strategy induced by lattice matching.
Experimental Investigation of a Particle-Laden Droplet Impacting a Cantilever Beam.
Gao SR, Wang YX, Sha M … +4 more , Wang ZX, Huang CL, Yang YR, Wang XD
Langmuir · 2026 Jun · PMID 42333459 · Publisher ↗
Particle-laden droplets impacting deformable substrates are commonly encountered in practical applications, yet their coupled dynamics remain insufficiently understood. This study experimentally investigates the impact b...
Particle-laden droplets impacting deformable substrates are commonly encountered in practical applications, yet their coupled dynamics remain insufficiently understood. This study experimentally investigates the impact behavior of particle-laden droplets on superhydrophobic cantilever beams, with particular focus on the effects of particle concentration, Weber number (), and beam stiffness. The results show that increasing particle concentration suppresses the maximum spreading diameter due to enhanced viscous dissipation and particle interactions, while at high concentration (φ = 50%) the droplet exhibits a more compact, solid-like rebound behavior. Despite these effects, the spreading time remains independent of all investigated parameters, indicating that the process is governed by the inertial-capillary time scale. The receding time is insensitive to particle concentration and but decreases with increasing beam stiffness due to reduced structural deformation and energy dissipation. Consequently, the contact time is primarily regulated by substrate elasticity rather than particle-induced rheological effects. A scaling relationship for the contact time is established, revealing a nonlinear dependence on beam stiffness. Within the present parameter range (φ ≤ 50% and ≪ 1), particle loading does not introduce a new governing time scale, and droplet dynamics remain dominated by the elastic response of the substrate. These findings provide new insights into multiphase droplet impact on deformable surfaces and offer guidance for the design of functional interfaces in applications such as anti-icing and spray processes.
Highly Sensitive Phase-Engineered Copper Sulfide Interfaces for Nonenzymatic Electrochemical Creatinine Sensing in Human Urine.
Verma S, Dutta G
Langmuir · 2026 Jun · PMID 42333438 · Publisher ↗
Herein, we report for the first time the exploration of PVP-modulated copper sulfide for a high-performance electrochemical nonenzymatic sensor for noninvasive creatinine sensing. A controlled coprecipitation route in th...
Herein, we report for the first time the exploration of PVP-modulated copper sulfide for a high-performance electrochemical nonenzymatic sensor for noninvasive creatinine sensing. A controlled coprecipitation route in the presence of polyvinylpyrrolidone (PVP) yields phase-pure CuS, while synthesis without PVP results in a heterogeneous mixture of CuS, CuS, and secondary phases (CuS). Electrochemical evaluation by cyclic voltammetry demonstrates that the phase-engineered PVP-modulated CuS sensor exhibits a stable, well-defined cathodic complexation response, in contrast to CuS-based sensor. Mechanistic understanding was further advanced through high-resolution XPS at potentials associated with redox transitions and Copper-Creatinine complexation, confirming the role of surface Cu species and the C═N group of creatinine in facilitating electron transfer. The sensor demonstrated exceptional analytical figures of merit, including a wide linear range of 0-300 μM, encompassing the entire physiological and pathological range, a low detection limit of 1.196 μM, and a high sensitivity of 541.83 μA mM cm. Furthermore, the sensor exhibited splendid specificity, effectively mitigating uric acid interference through simple 100-fold dilution, and maintained remarkable stability with a 96.68% signal retention over 26 days. Crucially, validation using clinical human urine samples showed excellent agreement with the gold standard test ( > 0.05). The PXRD, FTIR, Raman spectroscopy, UV-visible, FESEM, HR-TEM, Zeta potential, and XPS were performed for comprehensive material characterization, which revealed crucial phase engineering and functionalization influencing electrocatalytic activity. This study establishes phase-engineered PVP-modulated CuS as a robust and reproducible nonenzymatic sensing material offering mechanistic insights that can guide the design of next-generation point-of-care creatinine sensors.
Nonprecious Metal-Modified Porous Organic Polymers for Enhanced Photocatalytic Degradation.
Li P, Wang X, Li X … +7 more , Lin W, Chen L, Xiao J, Liu C, Pan Y, Chen X, Jiang B
Langmuir · 2026 Jun · PMID 42333076 · Publisher ↗
Porous organic polymers (POPs) are promising photocatalyst substrates due to their high surface area, tunable pore size, and functionalization versatility. However, these materials face challenges in structural stability...
Porous organic polymers (POPs) are promising photocatalyst substrates due to their high surface area, tunable pore size, and functionalization versatility. However, these materials face challenges in structural stability suffering from reversible covalent bonds, rapid electron-hole recombination, and limited scalability in synthesis for photocatalytic water purification. Herein, we demonstrate a cost-effective strategy by depositing nonprecious metal hydroxides (Fe(OH), Ni(OH), and Zn(OH)) onto a simple triazine-based POP (PT) to enhance interfacial charge transfer and photocatalytic activity. Remarkably, the Zn(OH)-modified PT composite (PT-Zn(OH)) achieves 98% degradation of 10 ppm methylene blue within 40 min─a 2.3-fold improvement over pristine PT (42%). Systematic characterization (UV-vis, XPS-VB, electrochemical impedance spectroscopy, and PL) reveals that Zn(OH) deposition optimizes the semiconductor's band structure, reduces charge recombination, and improves interfacial electron-hole separation kinetics. This work highlights the pivotal role of metal hydroxide-POP interfacial engineering in enhancing photocatalysis and provides a scalable, precious-metal-free design for efficient pollutant degradation.
Mechanism of Ultra-precision Machining of Different Crystal Planes of Zinc Selenide: Molecular Dynamics Simulation and Experimental Verification.
Zhang R, Yang X, Deng J … +3 more , Du G, Yao T, Cheng B
Langmuir · 2026 Jun · PMID 42333028 · Publisher ↗
Zinc selenide (ZnSe) convex aspherical optical components have been widely used because of their excellent optical properties. Single-point diamond turning (SPDT) is the mainstream method for machining of ZnSe aspherical...
Zinc selenide (ZnSe) convex aspherical optical components have been widely used because of their excellent optical properties. Single-point diamond turning (SPDT) is the mainstream method for machining of ZnSe aspherical optical surfaces. However, the high brittleness and extremely low fracture toughness of ZnSe make it prone to surface defects such as cracks and pits during the SPDT process, which seriously impair the quality of ultraprecision machined ZnSe surfaces. At present, remarkable achievements have been made in the research on inducing ductile-brittle transition (DBT) to improve the crystal surface quality via the precise control of cutting parameters during the ultraprecision SPDT of ZnSe crystals. Nevertheless, few studies have reported the influence of the ZnSe crystal orientation on the surface quality. The anisotropy of ZnSe crystal grains also exerts a significant impact on the machined surface quality. Therefore, it is crucial to explore the anisotropic cutting mechanism of ultraprecision turning for ZnSe crystals and improve the surface and subsurface quality of ZnSe. In this study, molecular dynamics simulations of different ZnSe crystal planes were combined with gradient ultraprecision turning experiments to systematically investigate the material removal mechanisms of ultraprecision turning for the ZnSe (100), (110), and (111) crystal planes and polycrystalline ZnSe, as well as the effect of cutting depth on the surface quality of different ZnSe crystal planes. The results show that the surface morphologies of different ZnSe crystal planes exhibit distinct differences at the same cutting depth and that the morphologies of different crystal planes also vary at an identical cutting depth. The machined surface quality of ZnSe crystals is significantly affected by the crystal orientation. Among the four crystal planes investigated in the experiments, the machined surface quality is ranked as (110) > (111) > polycrystalline ZnSe > (100).
Structural Analysis of Gel-Phase-Like Subdomains Formed in Lipid-Raft-Mimetic Bilayers.
Kinoshita M, Maeda M, Matsumori N
Langmuir · 2026 Jun · PMID 42332967 · Publisher ↗
Lipid rafts are ordered membrane domains composed of sphingomyelin (SM) and cholesterol (chol). They serve as platforms for membrane-based signal transduction. To date, the structural properties of lipid rafts have been...
Lipid rafts are ordered membrane domains composed of sphingomyelin (SM) and cholesterol (chol). They serve as platforms for membrane-based signal transduction. To date, the structural properties of lipid rafts have been investigated using SM/chol/unsaturated-lipid ternary bilayers, which undergo phase separation into SM/chol-rich liquid-ordered (Lo) and unsaturated-lipid-rich liquid-disordered (Ld) phases. Although some previous studies have suggested structural heterogeneity within the Lo phase, the internal organization of lipid-raft-mimetic Lo phases has been largely unexplored owing to the lack of methodologies capable of probing the local membrane structure. Recently, we developed a low-flux electron diffraction (LFED) technique and disclosed the local structures of lipid monolayers. In this study, we examined the local structure within the Lo phase by using LFED. We first tested the applicability of a previously developed rapid-freezing and sublimation protocol to lipid bilayers and successfully prepared dehydrated bilayers with minimal perturbation of lipid chain packing. Next, we optimized the electron beam flux and acquired diffraction patterns from the lipid bilayers in a minimally invasive manner. Finally, we directly examined local chain-packing structures within the Lo phase using LFED for the first time. As a result, sharp-ring and pseudohexagonal-spot diffractions were observed at some locations in the Lo phase. Notably, these diffraction patterns were identical with those observed in pure SM bilayers (gel phase). Hence, these results suggest that subdomains with gel-phase-like lipid packing are formed in the Lo phase and that subdomains consist of almost-pure SM. These results provide experimental evidence for structural heterogeneity within the Lo phase and a new physical basis for understanding the organization and functional versatility of lipid rafts.
Ammonia Sensing Performance Enhancement of ZnSnO-ZnO Heterojunction Nanocomposites by Regulated Doping of Reduced Graphene Oxide.
Li M, Chen Y
Langmuir · 2026 Jun · PMID 42332925 · Publisher ↗
In this study, three-dimensional (3D) ZnSnO-ZnO heterostructure nanocomposites with various reduced graphene oxide (RGO) doping mass ratios (1:100, 2:100, 3:100, 4:100, and 5:100) were synthesized by integrating hydrothe...
In this study, three-dimensional (3D) ZnSnO-ZnO heterostructure nanocomposites with various reduced graphene oxide (RGO) doping mass ratios (1:100, 2:100, 3:100, 4:100, and 5:100) were synthesized by integrating hydrothermal treatment with ultrasonic dispersion strategies. The structure and morphology of the synthesized nanocomposites were comprehensively examined with X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS). A set of ZnSnO-ZnO gas sensors was prepared using these nanostructures, and their NH-sensing behaviors were fully investigated. Experimental sensing data reveal that, relative to specimens with other doping contents, the RGO-ZnSnO-ZnO heterostructure with an RGO mass ratio of 3:100 delivers the optimal sensing response at 100 °C under 100 ppm of NH, achieving a response magnitude of 51.58. Furthermore, the as-obtained sample displays outstanding selectivity and long-term durability. Systematic comparison indicates that the remarkable NH-sensing behavior of RGO-decorated octahedral and columnar spinel ZnSnO-ZnO is mainly ascribed to the synergistic contributions of RGO: acting as a high-efficiency electron pathway and p-type dopant, RGO rationally modulates the Fermi level and strengthens the charge transfer triggered by NH; the 3D porous network assembled by RGO enlarges the specific surface area and accelerates gas diffusion; meanwhile, it creates unique adsorption sites for NH, thus boosting chemisorption and interfacial charge transportation.
Compositional Optimization of Carboxymethyl Cellulose-Based Adhesive Hydrogels for Simultaneous Toughness Enhancement and Strong Interfacial Bonding.
Lei YH, Chakravarthy RD, Lin CY … +5 more , Chen WC, Ni YF, Wu K, Yeh MY, Lin HC
Langmuir · 2026 Jun · PMID 42332849 · Publisher ↗
Hydrogels are highly hydrated cross-linked polymer networks whose composition and structure can be engineered to achieve desirable mechanical properties, adhesion, and biocompatibility for biomedical, functional material...
Hydrogels are highly hydrated cross-linked polymer networks whose composition and structure can be engineered to achieve desirable mechanical properties, adhesion, and biocompatibility for biomedical, functional material, and environmental applications. In this study, acrylamide (AAM) was employed as the primary backbone monomer to construct the fundamental polymer network. Methacrylated lysine (LysMA), methacrylated poly(vinyl alcohol) (PVAMA), and carboxymethyl cellulose (CMC) were incorporated as functional comonomers, while -methylenebis(acrylamide) (MBAA) served as the chemical cross-linker to establish a stable and tunable three-dimensional structure. The multiple intermolecular interactions of the amine and carboxyl groups provided by LysMA effectively enhanced interfacial adhesion. Meanwhile, PVAMA and CMC synergistically reinforced the network toughness and maintained overall mechanical integrity through hydrogen bonding and chain entanglement effects. After optimizing the compositional ratios, the hydrogel exhibited significantly enhanced mechanical performance, with the tensile stress increasing by approximately 680.2% and the toughness improving by 393.5% compared to the control group without PVAMA, indicating a markedly improved ability to withstand deformation and effectively absorb and dissipate mechanical energy. In terms of adhesion performance, the optimized hydrogel achieved a maximum adhesion strength of 213.63 kPa on aluminum substrates, which is markedly superior to most previously reported systems. Notably, the optimized formulation not only balanced high adhesion strength and enhanced mechanical performance, but also exhibited good fatigue resistance and biocompatibility, confirming its stability and safety under long-term application scenarios. These findings highlight a rational molecular design and compositional optimization strategy for developing high-performance functional hydrogels with broad cross-disciplinary application potential.
Edge Exposure and Electrochemical Modulation of Graphene Oxide by Focused Cu Ion Bombardment.
Luxa J, Malinský P, Novák J … +4 more , Havránek V, Mazánek V, Regner J, Sofer Z
Langmuir · 2026 Jun · PMID 42332420 · Publisher ↗
The modification of graphene oxide by energetic ion beams offers a promising alternative to conventional reduction techniques, providing spatially controlled tuning of the structural and electrochemical properties. In th...
The modification of graphene oxide by energetic ion beams offers a promising alternative to conventional reduction techniques, providing spatially controlled tuning of the structural and electrochemical properties. In this study, we investigate the effect of focused Cu ion beam irradiation on free-standing graphene oxide foils using a comprehensive suite of characterization methods, including scanning electron microscopy, energy-dispersive spectroscopy, Raman spectroscopy, atomic force microscopy, X-ray photoelectron spectroscopy, and scanning electrochemical microscopy. Cu ion bombardment was found to induce partial reduction of graphene oxide, evidenced by a decrease in oxygen content, an increased C/O ratio, and enhancement of graphitic carbon features. Scanning electrochemical microscopy measurements using the [Ru(NH)] redox probe revealed significantly enhanced electrochemical activity in and around the irradiated regions. This enhancement is likely influenced by local thinning of the graphene oxide layer and the increased exposure of reactive edge regions generated during irradiation rather than adsorption effects being the dominant factor. Elemental mapping confirmed a depletion of the Ru signal within bombarded stripes, supporting the structural origin of activity enhancement. These findings establish Cu-ion irradiation as a reagent-free, maskless approach for nanoscale patterning of electrochemically active regions in graphene oxide, with potential applications in sensing, catalysis, and electronic devices.
Adsorption Isotherm Analysis of SERS Spectroscopy via a Hybrid CNN-Transformer Approach.
Liu Y, Xu Q, Lu J … +5 more , Yu Q, Wang X, Yang J, Xu T, Wu J
Langmuir · 2026 Jun · PMID 42332408 · Publisher ↗
The analysis of adsorption isotherms serves as a critical tool for elucidating interfacial processes in surface-enhanced Raman scattering (SERS) studies; however, it has long been impeded by the subjective interpretation...
The analysis of adsorption isotherms serves as a critical tool for elucidating interfacial processes in surface-enhanced Raman scattering (SERS) studies; however, it has long been impeded by the subjective interpretations and inherent inefficiencies of conventional fitting methods. To overcome these limitations, a hybrid deep learning (DL) framework that combines one-dimensional convolutional neural networks (1D CNNs) with a transformer was designed for the identification and classification of adsorption isotherm models. Experimental validation was conducted utilizing SERS chips to adsorb crystal violet, malachite green, and methylene blue. The trained model attained classification accuracies surpassing 91% on simulated data and shown strong performance in modeling genuine experimental isotherms. This completely automated method markedly improves objectivity and efficiency in adsorption analysis. The results not only offer a practical instrument for SERS-based adsorption studies but also present a synthetic data-driven DL framework, providing a scalable resolution for small-sample learning difficulties in experimental chemistry.
Correction to "Sinter-Resistant Pd-P/C Electrocatalyst for Durable Oxygen Reduction".
Huang X, Wang W, Chen K … +5 more , Yu Z, Jia Z, Lin W, Yang X, He T
Langmuir · 2026 Jun · PMID 42330154 · Publisher ↗
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Theoretical Insights into Hydrazine Oxidation on Single-Atom Catalysts Enabling Efficient Electrochemical Hydrogen Production.
Hu J, Bai Q, Cai S … +3 more , Lin W, Guo X, Ding K
Langmuir · 2026 Jun · PMID 42329714 · Publisher ↗
Electrocatalytic water splitting is widely regarded as a sustainable and promising technology for the production of hydrogen. However, their efficiency is severely limited by the sluggish kinetics of the oxygen evolution...
Electrocatalytic water splitting is widely regarded as a sustainable and promising technology for the production of hydrogen. However, their efficiency is severely limited by the sluggish kinetics of the oxygen evolution reaction. This work demonstrates that through the rational design of single-atom catalysts (SACs), hydrazine oxidation can function as an efficient alternative anodic reaction to replace the oxygen evolution reaction, thereby substantially lowering the energy input required for hydrogen production. Using density functional theory calculations, we systematically investigated a series of single-atom 3d transition metals ranging from Sc to Zn anchored on four types of defective graphene substrates. Among the investigated systems, Cr@N and Fe@N stand out as thermodynamically promising bifunctional catalysts, exhibiting low reaction free energy barriers of 0.33 and 0.48 eV, respectively, together with high thermodynamic stability and selectivity. Meanwhile, both catalysts also demonstrate excellent hydrogen evolution reaction activity, with near-optimal hydrogen adsorption free energies of 0.09 eV for Cr@N and 0.11 eV for Fe@N. Electronic structure analyses reveal a pronounced electron-acceptance-donation interaction between the single-atom active centers and NH molecules, which enhances adsorption and facilitates the reaction process.
Self-Standing Macro-Mesocellular Inorganic Aerogels Obtained While Coupling a Direct Concentrated Emulsion, Sol-Gel Chemistry, and a Supercritical CO Drying Process.
Layan É, Chiron A, Clermont G … +7 more , Bentaleb A, Ly I, Nallet F, Toupance T, Gaudon M, Aymonier C, Backov R
Langmuir · 2026 Jun · PMID 42329710 · Publisher ↗
A scCO drying/lixiviation process allows self-standing inorganic macrocelullar aerogels to be produced within 1 h. The applied depressurization rate permits the macrocellular internal throats to be tuned with native hydr...
A scCO drying/lixiviation process allows self-standing inorganic macrocelullar aerogels to be produced within 1 h. The applied depressurization rate permits the macrocellular internal throats to be tuned with native hydrodynamic instability. scCO treatment advantageously addresses lixiviation of the tensioactive molecules employed as the templating agent. Final calcined aero-Si(HIPE) materials, at the optimum temperature of 450 °C, afford a specific surface area of up to 1400 m g. The lower treatment temperature and lower tension-active contents dramatically reduce the carbon footprint penalty, compared with that of traditional xero-Si(HIPE). Further annealing of these aero-Si(HIPE) foams at 1200 °C drastically decreases the specific surface area while maintaining both the open macroposity and the self-standing character. Concomitantly, severe shrinkage and densification of the monoliths occur upon cristobalite crystallization. For the sake of making this generic endeavor, the scCO drying/lixiviation approach has also been extended to MUB-110, MUB-200, and MUB-300 co-oxide(HIPE) catalysts describing the same scenario of fostering the specific surface area, maintaining the monolith-type character and associated macroporous open tortuosity, and minimizing the carbon footprint penalty.
Competitive Adsorption and Diffusion of CO and CH in Type I-III Kerogen-Illite Composite Nanopores: Implications for CO Storage and Enhanced Gas Recovery in Ultra-Deep Shale.
Zhang L, Chen J, Stupakova A
Langmuir · 2026 Jun · PMID 42329601 · Publisher ↗
Injecting CO into ultradeep shale gas reservoirs for carbon capture, utilization, and storage (CCUS) can deliver two benefits at the same time: long-term geological storage of CO and enhanced gas recovery (EGR). In this...
Injecting CO into ultradeep shale gas reservoirs for carbon capture, utilization, and storage (CCUS) can deliver two benefits at the same time: long-term geological storage of CO and enhanced gas recovery (EGR). In this study, molecular dynamics simulations were used to examine the competitive adsorption and transport behavior of CH and CO in representative kerogen-Illite composite nanopores under ultradeep reservoir conditions. Composite pore models containing Illite clay and type I, II, or III kerogen at high thermal maturity were built to represent the matrix pore system of deep shale. CO was then injected into kerogen/Illite pores that had already adsorbed CH, so that the dynamic CH displacement process could be observed at the molecular scale. The results show that CO adsorbs much more strongly than CH and has clear adsorption selectivity. CH displacement efficiency is strongly controlled by kerogen type. Type III kerogen shows the strongest affinity for CO and the highest CH displacement ratio, followed by type II kerogen, while type I kerogen has the lowest CO/CH selectivity and releases the least CH. The diffusion results further show that CH always moves faster than CO in these nanopores. These findings confirm that, under ultradeep reservoir conditions, injected CO can efficiently compete for adsorption sites on kerogen surfaces and release a large amount of bound CH. This provides molecular-level support for the feasibility of CO-EGR in deep shale reservoirs and offers a theoretical basis for optimizing CCUS strategies in ultradeep unconventional formations.
Oxidation-Assisted ZnCl Activation of Pitch-Derived Hard Carbon with Abundant Closed Pores for Efficient Sodium Storage.
Fang R, Song Z, Dang N … +1 more , Zhao T
Langmuir · 2026 Jun · PMID 42329211 · Publisher ↗
As a low-cost precursor for hard carbon (HC) anodes in sodium-ion batteries, oxidized asphalt (OP) suffers from excessive carbon-layer ordering and insufficient development of closed-pore structure during pyrolysis, whic...
As a low-cost precursor for hard carbon (HC) anodes in sodium-ion batteries, oxidized asphalt (OP) suffers from excessive carbon-layer ordering and insufficient development of closed-pore structure during pyrolysis, which limits low-voltage sodium storage and initial Coulombic efficiency. Herein, a synergistic strategy combining HNO oxidation with ZnCl activation is developed to regulate the microstructure of oxidized asphalt-derived HC. The oxygen-containing functional groups introduced by oxidation promote the anchoring of Zn species and facilitate the in situ generation of ZnO intermediates during pyrolysis, thereby reconfiguring the activation process and carbonization behavior. As a result, the ordered stacking of carbon layers is effectively suppressed, leading to an enlarged interlayer spacing of 0.391 nm and a closed-pore-rich structure. The obtained N-Zn-OP exhibits a defect-rich turbostratic framework with a specific surface area of 359.67 m g. Benefiting from the cooperative optimization of carbon layers and pore structure, the N-Zn-OP anode delivers a reversible capacity of 403.52 mAh g at 15 mA g, with 51.13% of the capacity contributed by the low-voltage plateau, and retains 90% of its capacity after 100 cycles at 0.1C.
Generation of Two-Dimensional Pulses in Lipid Monolayers by Rapid Photoswitching.
Rosenstein T, Zolthoff P, Kierfeld J … +1 more , Schneider MF
Langmuir · 2026 Jun · PMID 42328762 · Publisher ↗
We study pressure pulse generation and propagation in lipid monolayers by an experimental approach employing rapid photoisomerization of photoswitchable lipids (azoPC). This allows us to generate longitudinal surface pre...
We study pressure pulse generation and propagation in lipid monolayers by an experimental approach employing rapid photoisomerization of photoswitchable lipids (azoPC). This allows us to generate longitudinal surface pressure pulses by optical flash excitation in both free and constrained layer geometries. We compare the observed pulse shapes with a theoretical approach based on a nonlinear fractional wave equation for a surface displacement field, where a fractional time derivative term captures the hydrodynamics of the monolayer subphase. We explore channel geometries of different lengths and widths and find quantitative agreement between theory and experiment regarding pulse speed and pulse shapes. For narrow channels, we employ a one-dimensional version of the fractional wave equation to study pulse propagation without any fit parameters by using the pressure signal at a close pressure sensor as a boundary condition to predict the pressure signal at a second far sensor. A full two-dimensional description can capture all effects arising from the channel geometry for wider channels using one common set of fit parameters for the pulse excitation that can be applied to all geometries. The nonlinearity in the fractional wave equation plays no role in explaining the observed pulse shapes because pulse amplitudes generated by azoPC photoswitching remain very small.
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