Langmuir[JOURNAL]
Sun
200 papers
Enhancement of Interfacial Thermal Conductance in PEO/LiCoO Solid-State Battery Interfaces via an AlO Interlayer: A Molecular Dynamics Study.
Hadizade Kheirkhah A, Esfandiar A, Ejtehadi MR
Langmuir · 2026 Jun · PMID 42328756 · Publisher ↗
Interfacial thermal resistance at the cathode-electrolyte contact constitutes a major limitation for thermal management in solid-state lithium batteries. In this work, reverse nonequilibrium molecular dynamics (RNEMD) si...
Interfacial thermal resistance at the cathode-electrolyte contact constitutes a major limitation for thermal management in solid-state lithium batteries. In this work, reverse nonequilibrium molecular dynamics (RNEMD) simulations are employed to quantify heat transport across the interface between a lithium cobalt oxide (LiCoO) cathode and a poly(ethylene oxide) (PEO) solid electrolyte. For the direct PEO/LiCoO interface, a pronounced temperature discontinuity is observed, corresponding to an interfacial thermal conductance of 164 MW m K. Upon insertion of an amorphous AlO interlayer, the effective interfacial thermal conductance increases to a lower-bound value of approximately 401 MW m K. This behavior reflects a significant thermal resistance that arises from the mismatch of phonons and weak interfacial coupling. To mitigate this limitation, a thin amorphous alumina (AlO) interlayer is introduced at the interface. The presence of the alumina interlayer results in a nearly continuous temperature profile across the interface and leads to a substantial enhancement of interfacial heat transport, indicating a near elimination of the interfacial thermal resistance. The interfacial thermal conductance in the presence of the alumina interlayer remains high over the investigated temperature range of 250-400 K. Analysis of the vibrational density of states and radial distribution functions reveals that the alumina interlayer improves phonon spectral overlap and strengthens interfacial bonding, thereby facilitating more efficient energy transmission across the interface. These results demonstrate that ceramic interlayer engineering provides an effective strategy for improving interfacial thermal transport in solid-state battery architectures.
Coal Interface Modified by the Nanofluid: Insights from Dynamic Adsorption Wetting to Structural Weakening.
Ma T, Zhang X, Zou Q … +6 more , Jiang C, Li Q, Liu T, Fan C, Hu Y, Ran Q
Langmuir · 2026 Jun · PMID 42328722 · Publisher ↗
SiO nanofluid has significant potential for weakening coal mechanical properties and improving coal seam water injection efficiency, while prewetting time critically governs its modification outcomes. Accordingly, this s...
SiO nanofluid has significant potential for weakening coal mechanical properties and improving coal seam water injection efficiency, while prewetting time critically governs its modification outcomes. Accordingly, this study systematically investigated the effects of nanofluid prewetting time on coal mechanical performance, energy dissipation, and fracture propagation. Furthermore, Langmuir adsorption theory and Young's equation were employed to elucidate the fluid dynamic mechanism underlying time-dependent structural weakening of the modified coal. Results demonstrate that nanofluid prewetting treatment significantly reduces dynamic contact angles on coal surfaces and effectively enhances hydrophilicity. Nanofluid prewetting diminishes coal resistance to deformation, with the maximum reduction rate occurring at 2 h prewetting, corresponding to the lowest elastic modulus and peak stress alongside intensified lateral expansion. Post-treatment cumulative and maximum ring-down counts decrease substantially, indicating that internal cracks slide and propagate more readily during loading, thereby alleviating instantaneous elastic energy release upon failure. Moreover, fracture development reaches its maximum at 2 h prewetting, with failure mode transitioning from tensile-dominated to shear-dominated behavior. Nanoparticle adsorption on coal surfaces initially increases and subsequently stabilizes with prolonged prewetting time. However, prolonged prewetting time leads to aggregation and deposition of the nanofluid. The channels for water infiltration become narrowed. The enhancement of wetting modification is thereby restricted. In summary, prewetting time modulates nanoparticle adsorption and aggregation behavior, thereby influencing coal water absorption and structural weakening degree, ultimately determining the failure mode transition of the modified coal. The research findings provide foundations for optimizing prewetting time in coal seam water injection.
Controlled Synthesis of TiO Nanotube Array-Based Slippery Liquid-Infused Porous Surfaces with Durable Liquid-Holding Property and Anti-Icing Performance.
Yan Y, Ma Y
Langmuir · 2026 Jun · PMID 42328721 · Publisher ↗
The relationship between the nanostructures and the long-term properties of slippery liquid-infused porous surfaces (SLIPS), including liquid-holding ability and anti-icing performance, is an important issue, but poorly...
The relationship between the nanostructures and the long-term properties of slippery liquid-infused porous surfaces (SLIPS), including liquid-holding ability and anti-icing performance, is an important issue, but poorly systematically elucidated. Herein, we used TiO nanotube arrays with exquisitely designed diameter and length as a model system to investigate the effects of the structural parameters on the long-term properties of SLIPS. The TiO nanotube arrays with diameters ranging from 40 to 110 nm and lengths from 3 to 12 μm were fabricated for the first time on Ti substrates via an optimized anodic oxidation method and then infused with a lubricant to form SLIPS with superior slippery properties. The contact angle hysteresis (CAH) of TiO SLIPS after 20 min high-speed centrifugation or 7 day water shearing was lower than 4° or as low as 8°, respectively, indicating the excellent liquid-retention property of TiO SLIPS. We propose that the long-term liquid-holding ability of the obtained TiO SLIPS is attributed to the synergistic effect of the small nanotube diameter (strengthening capillary force) and the large porous volume (enhancing lubricant storage). Furthermore, we find that icing on TiO SLIPS can be delayed for more than 24 h at low temperature (-22 °C), indicating the superior anti-icing ability derived from the lubricant film maintained by the optimized structures. The results reveal that structural parameters, including the nanotube diameter and length and porous volume that can be used to hold lubricant, significantly influence the slippery property, liquid-holding property, and long-term anti-icing property of SLIPS.
Performance Improvement by Adding Reduced Graphene Oxides in Brush-Painted NiMoO Nanowires-Polyaniline-Chitosan Composite Flexible Supercapacitor.
Yan PY, Chen LH, Chiu LD … +3 more , Huang YD, Cheng IC, Chen JZ
Langmuir · 2026 Jun · PMID 42325008 · Publisher ↗
Flexible energy-storage devices are essential for emerging applications such as wearable electronics and soft integrated systems, where mechanical adaptability and long-term stability are required. In this work, a cost-e...
Flexible energy-storage devices are essential for emerging applications such as wearable electronics and soft integrated systems, where mechanical adaptability and long-term stability are required. In this work, a cost-effective brush-painted strategy is developed to fabricate a flexible symmetric supercapacitor based on a NiMoO nanowire/polyaniline/chitosan/reduced graphene oxide composite electrode. The incorporation of reduced graphene oxide significantly enhances the electrochemical performance by improving the electrical conductivity and interfacial charge transfer, leading to more efficient energy storage. The device operates stably within a voltage window of 0.8 V and delivers an areal capacitance of 125.85 mF/cm at a low scan rate. In addition, it exhibits excellent cycling durability with 94.5% capacitance retention after 10,000 cycles, as well as robust mechanical flexibility, maintaining stable performance under repeated bending conditions. These results demonstrate that the synergistic design of hybrid electrode materials combined with a simple fabrication approach provides an effective route toward high-performance flexible supercapacitors for next-generation wearable and portable electronics.
Microfluidic System for Continuous Triacylglycerol Supply with Ethanol as a Cosolvent to Artificial Organelle Models.
Hayashi K, Adachi T, Ota H … +5 more , Kamei T, Shimanouchi T, Watanabe NM, Nakamura H, Umakoshi H
Langmuir · 2026 Jun · PMID 42324871 · Publisher ↗
Recent studies have focused on incorporating functional molecules into liposomes, which can serve as models for artificial cells and organelles. Artificial cells have certain cellular functions, such as the replication o...
Recent studies have focused on incorporating functional molecules into liposomes, which can serve as models for artificial cells and organelles. Artificial cells have certain cellular functions, such as the replication of genetic material and protein synthesis, whereas artificial organelles mimic specific organelle functions, including those of mitochondria and lysosomes. Sustained functioning of these systems requires a continuous supply of substrates. The mechanism of formation of lipid droplets is not yet fully understood despite their involvement in metabolic disorders such as obesity and nonalcoholic fatty liver disease. Artificial organelle systems offer a promising platform for elucidating the mechanism of lipid droplet formation. To establish an artificial lipid droplet preparation system, continuous delivery of triacylglycerol─a water-insoluble compound─is essential. In this study, triacylglycerol was solubilized in an aqueous solution using ethanol (EtOH) as a cosolvent and then supplied via a microtube pump system to giant unilamellar vesicles (GUVs) functioning as artificial endoplasmic reticulum. Large unilamellar vesicles (LUVs) were used to assess the effects of EtOH. LUVs retained their vesicular structure in 30 wt % EtOH solution, although EtOH altered membrane properties, such as mobility of phospholipids and hydrophobicity of the liposomal membranes. Similarly, GUVs maintained their structural integrity under the conditions of continuous supply with triacylglycerol via the microtube pump system. Thus, the flow system provides a promising platform for artificial lipid droplet preparation.
NiFeCo Layered Double Hydroxide Derived from Co-MOF for Enhanced Energy Storage of Yarn-Shaped Supercapacitors.
Yuan M, Fan Y, Li D … +8 more , Jia J, Liu C, Yu Y, Wang Y, Yan J, Li H, Wu J, Liao Y
Langmuir · 2026 Jun · PMID 42324822 · Publisher ↗
With the rapid development of flexible portable wearable gadgets, flexible energy storage units characterized by power output and mechanical compliance are highly demanded. This study proposes a strategy for preparing ya...
With the rapid development of flexible portable wearable gadgets, flexible energy storage units characterized by power output and mechanical compliance are highly demanded. This study proposes a strategy for preparing yarn-shaped supercapacitor (YSC) electrode materials based on cobalt-based metal-organic framework (Co-MOF) derived NiFeCo layered double hydroxide (NiFeCo-LDH). By in situ growth of Co-MOF as a self-sacrificial template and cobalt source on the surface of carbon nanotubes coated polyester yarn (CPY), hierarchical structured MOF-derived NiFeCo-LDH@CPY composite materials were prepared through a one-step hydrothermal method. Comprehensive analytical studies have shown that the NiFeCo-LDH@CPY composite, derived from Co-MOF precursors with a Ni/Fe molar proportion of 2:1, reveals a multilayered sheet morphology accompanied by a specific surface area of 134.879 m g. The electrochemical assessment verifies that this electrode displays an areal capacitance of 5589.8 mF cm at a 1 mA cm current density, as well as a rate capability of 85.69%, outperforming the conventionally synthesized NiFeCo-LDH@CPY (3708.2 mF cm, 36.15%). The fabricated symmetric yarn supercapacitor in quasi-solid-state configuration, incorporating this electrode material, functions across an operational voltage window spanning 0 to 1.6 V. It delivers the energy density of 17.35 μWh cm under a power density of 127.39 μW cm, while preserving 80.05% of its pristine capacitance after enduring 10,000 charge-discharge cycles, and demonstrating mechanical pliability and structural robustness. This energy storage system additionally proves capable of illuminating LED matrices and energizing compact electronic apparatuses, thereby underscoring its considerable potential for deployment within wearable power applications.
Water-Based Polyurethane Dispersions: New Insights into the Intrinsic Stabilization Using Carboxylate Groups.
Grau C, Schmidt AM, Wilkens J
Langmuir · 2026 Jun · PMID 42323902 · Publisher ↗
To achieve sufficient dispersion stability, ionizable groups such as dimethylolpropionic acid (DMPA) are often incorporated into the framework of water-based polyurethane dispersions (PUDs). As a weak acid, this group ex...
To achieve sufficient dispersion stability, ionizable groups such as dimethylolpropionic acid (DMPA) are often incorporated into the framework of water-based polyurethane dispersions (PUDs). As a weak acid, this group exhibits pH-dependent dissociation, which directly influences the degree of electrostatic repulsion between two particles. To gain deeper insights into the structure-stability relationship of PUDs, we synthesized numerous samples with different soft segments (polyether, polyester, and polycarbonate polyols) and varying contents of DMPA according to the acetone process. The dissociation behavior of the carboxyl groups and the particle charge were characterized by potentiometric acid-base titration, and the corresponding titration curves were fitted assuming multiple functional groups with adaptable acid strengths. To determine the surface potentials, electrokinetic measurements as a function of electrolyte concentration were performed and analyzed by the hard particle theory considering the relaxation effect. Dispersion stability was examined by means of the critical coagulation concentration (ccc) and evaluated according to the DLVO and XDLVO theory. Hamaker constants were determined based on contact angle data of the respective PU films with an apolar test liquid using the van Oss-Chaudhury-Good theory. The study shows that not all carboxyl groups incorporated into the polymer backbone can be detected by potentiometric titration. In addition, data from titration curves are best fitted when at least two functional groups with different acid strengths are assumed, indicating a nonuniform charge distribution in a peripheral layer and hindered dissociation. Interestingly, early DMPA incorporation during the prepolymerization step has a significant effect on the charge localization in the PUD particles. Compared to PUDs, in which the ionizable groups were incorporated during the final chain extension step, the proportion of charge groups in the particle interior increases significantly. However, these differences hardly affect the determined surface potentials and dispersion stabilities. Similar to a recent study, the surface potentials decrease slightly with increasing DMPA content, which is a result of the decreasing particle size. As expected, the ccc values increase with rising DMPA content, but in particular, they show a strong influence of the polyol component. The analysis of our data indicates that the DLVO approach should be extended by considering an additional attractive interaction energy, which is probably based on the hydrophobicity of the polymer components.
MXene/RGO/Si Schottky Junction for a High-Performance Self-Powered Broadband Photodetector.
Li J, Lu Z, Feng X … +3 more , Zheng T, Jiang Y, Yu P
Langmuir · 2026 Jun · PMID 42322617 · Publisher ↗
Two-dimensional (2D) materials are attractive for self-powered photodetectors, but their practical use is often hindered by unstable interfaces, inefficient carrier extraction, and poor environmental durability. TiCT-MXe...
Two-dimensional (2D) materials are attractive for self-powered photodetectors, but their practical use is often hindered by unstable interfaces, inefficient carrier extraction, and poor environmental durability. TiCT-MXene offers high electrical conductivity yet suffers from oxidation-induced instability, whereas reduced graphene oxide (RGO) provides better structural robustness but limited interfacial charge transport capability when used alone. In this work, the TiCT-MXene/RGO/Si Schottky junction photodetector was fabricated based on a hybrid interfacial engineering strategy, in which TiCT-MXene and RGO are integrated as a multifunctional Schottky-contact layer. This hybrid interface simultaneously promotes carrier extraction, suppresses dark current, and improves device stability under self-powered operation. Compared with the TiCT-MXene/Si device, the TiCT-MXene/RGO/Si photodetector exhibits markedly enhanced zero-bias performance, including an on/off ratio of 1.48 × 10, a responsivity of 1.82 × 10 mA W, and a specific detectivity of 2.37 × 10 Jones under 368 nm illumination, corresponding to 22.5-, 10.1-, and 24.2-fold improvements, respectively. In addition, the rise and fall times are shortened to 12 and 18 ms, respectively. n-Si serves as the dominant photogeneration medium, and the TiCT-MXene/RGO hybrid layer mainly functions as an interfacial carrier-separation and collection layer. The hybrid structure also improves the operational stability of the device under ambient conditions. These results demonstrate that TiCT-MXene/RGO hybrid interfacial engineering is an effective strategy for addressing the performance-stability trade-off in Si-based self-powered Schottky photodetectors.
Advanced Microchannel Design with Obstacles for Enhanced Separation of Circulating Tumor Cells from Blood Cells.
Khodayari A, Ebrahimi S, Topaheidari M … +1 more , Shamloo A
Langmuir · 2026 Jun · PMID 42322589 · Publisher ↗
The efficient separation of circulating tumor cells (CTCs) from peripheral blood components is crucial for enhancing cancer diagnostics, developing targeted therapeutic approaches, and facilitating detailed cellular-leve...
The efficient separation of circulating tumor cells (CTCs) from peripheral blood components is crucial for enhancing cancer diagnostics, developing targeted therapeutic approaches, and facilitating detailed cellular-level analyses. Inertial microfluidic channels have gained recognition as a highly promising platform owing to their straightforward design, capability to operate at high flow rates, and reliance on intrinsic hydrodynamic forces rather than external fields. However, unresolved issues persist, including the need to improve separation efficiency, sample purity, and processing throughput, while also reducing the cost of device fabrication. This study addresses these issues by introducing a novel microchannel design with strategically placed obstacles optimized through finite element method (FEM) simulations to achieve superior separation performance. The findings highlight the enhanced performance of an innovative inertial microfluidic platform incorporating rhomboid-shaped structures, specifically engineered to optimize the separation of CTCs. At an inlet flow rate of 0.33 mL/min, numerical simulations demonstrated that the rhomboid obstacle geometry achieved complete separation efficiency and purity (100%), surpassing the performance of other geometrical configurations. Experimental validation using MCF-7 and white blood cells (WBCs) further corroborated the simulation outcomes, yielding a separation efficiency of 98.3 ± 1.7% and a purity of 95.7 ± 3.8%. Optimal performance was achieved with 15 obstacle steps, where fewer steps led to significant drops in efficiency and purity. The design is cost-effective due to its reduced microchannel length, simplified geometry, and compatibility with standard fabrication techniques, while maintaining efficient throughput and high cell viability. The novel microchannel design represents a balanced performance in terms of throughput, separation efficiency, and device compactness. By integrating obstacle-based flow dynamics and computational optimization, the device offers a scalable solution for cancer diagnostics and cellular research. This work sets a new benchmark in particle separation technologies, contributing to advancements in biomedical and tissue engineering applications.
Solvent-Assembled Chiral Molecular Aggregates for Dual Energy and Chirality Transfer: Boosting the Circularly Polarized Luminescence.
Meng L, Qi J, Peng L … +3 more , Chen G, Cui S, Han D
Langmuir · 2026 Jun · PMID 42322314 · Publisher ↗
Achieving a high luminescence dissymmetry factor () is a key challenge in developing organic circularly polarized luminescence (CPL) materials. Inspired by hierarchical self-assembly and light-harvesting systems, we repo...
Achieving a high luminescence dissymmetry factor () is a key challenge in developing organic circularly polarized luminescence (CPL) materials. Inspired by hierarchical self-assembly and light-harvesting systems, we report a two-step chirality amplification strategy that combines solvent-induced assembly control with dual energy and chirality transfer. The chiral small molecule S(R)-HDTDP first self-assembles into highly ordered supramolecular aggregates with significantly enhanced intermolecular coupling, leading to a substantial boost of the CPL signal. Subsequently, coassembly with the achiral acceptor Coumarin 6 enables efficient energy transfer and concomitant chirality transfer, further amplifying the while tuning the emission color. This work demonstrates a facile yet powerful approach to sequentially magnify chiroptical responses via supramolecular engineering, offering new insights for designing high-performance CPL materials.
Revisiting the Role of Water Molecules in Formaldehyde Adsorption on Activated Carbons with Different Pore Sizes: Insights from Experiments and Multiscale Simulations.
Mi F, Liu W, Wang X … +5 more , Hu Z, Zhao H, Meng J, Ma X, Li J
Langmuir · 2026 Jun · PMID 42322308 · Publisher ↗
The pore size of activated carbon significantly influences its formaldehyde adsorption capacity. Although water vapor is known to significantly affect this process, its role in carbons with different pore sizes remains u...
The pore size of activated carbon significantly influences its formaldehyde adsorption capacity. Although water vapor is known to significantly affect this process, its role in carbons with different pore sizes remains unclear. This study employs a combined experimental and multiscale simulation approach to investigate the influence of water molecules on formaldehyde adsorption by activated carbons with varying pore sizes. Experimental results show that the modified activated carbon with an increased ultramicropore content exhibits superior formaldehyde adsorption performance, while elevated relative humidity leads to a noticeable decline in adsorption capacity. Multiscale simulations reveal that water clusters tend to accumulate and block ultramicropores, and mesopores lack sufficient confinement effects, both of which greatly reduce formaldehyde uptake. In contrast, the electrostatic interaction between water molecules and formaldehyde can moderately facilitate adsorption. The large micropore structure effectively alleviates water competitive adsorption, provides abundant adsorption sites through the confinement effect, and optimizes molecular mass transfer via wide channels. Combined with the electrostatic synergistic effect of water molecules, it maintains excellent formaldehyde adsorption capacity and humidity resistance. This study clarifies the structure-activity relationship between the pore structure of porous carbon and formaldehyde adsorption performance, providing theoretical support and design guidance for the development of high-efficiency carbon-based formaldehyde adsorbents applied in humid conditions.
Structure of Complex Liquid-Liquid Extraction Organic Phases for Rare Earth Separations.
Peroutka AA, Sheyfer D, Rahman T … +9 more , Bonnett BL, Farag H, Seifert S, Zhang Q, Dufresne EM, Narayanan S, Lal J, Stephenson GB, Servis MJ
Langmuir · 2026 Jun · PMID 42322294 · Publisher ↗
Complex, multicomponent liquids with hierarchical structure and phase transitions are encountered in many natural and industrial processes, including in chemical separations. One notable example is aggregation and organi...
Complex, multicomponent liquids with hierarchical structure and phase transitions are encountered in many natural and industrial processes, including in chemical separations. One notable example is aggregation and organic phase splitting in liquid-liquid extraction (LLE) of metal ions. While these two phenomena that have long been closely associated, a mechanistic link between mesoscale structure and the capacity-limiting organic phase splitting remains elusive due to complexity of these systems. Here, we combine small-angle X-ray scattering (SAXS), X-ray photon correlation spectroscopy (XPCS), and molecular dynamics simulation to reveal a comprehensive picture of structure at the nano- and mesoscale in these complex solutions. For the representative case of rare earth extraction from an acidic aqueous phase by a malonamide extractant in dodecane, we investigate a wide range of process-relevant extractant and acid concentrations to provide a complete picture of how aggregation depends on composition. We decompose organic phase structure from SAXS into two contributions, which together can capture the scattering at all compositions: composition fluctuations described by the Ornstein-Zernike equation at low wavenumber , and nanostructure modeled by a "pre-peak" at intermediate . The former contains information about the thermodynamics of demixing, while the latter reflects nanoscopic self-assembly of the extractant and extracted solutes. While fluctuations have typically not been considered in the literature, we find they in fact dominate the total structure for nearly all practical conditions. As only the fluctuations have a strong temperature response, we confirm this attribution with temperature-dependent SAXS measurements, including for extracted europium nitrate complexes. SAXS and XPCS measurements near the critical point find static and dynamic scaling consistent with theory. Overall, this new paradigm for understanding LLE organic phases connects composition, nanoscale, and mesoscale structuring to phase behavior, providing both a comprehensive picture of solution structure and a quantitative link between aggregation and third phase formation.
Unveiling the Effect of Salt on Methane Hydrate Dissociation Kinetics under Strong Thermal Perturbation.
Zhao L, Li P, Fan Z … +3 more , He K, Yang C, Wang D
Langmuir · 2026 Jun · PMID 42318990 · Publisher ↗
Hydrate dissociation kinetics is fundamental to understanding the hydrate dissociation process and has been commonly used to assess the gas release rate of marine methane hydrates, which is critical for evaluating both h...
Hydrate dissociation kinetics is fundamental to understanding the hydrate dissociation process and has been commonly used to assess the gas release rate of marine methane hydrates, which is critical for evaluating both hydrate resource exploitation and ocean-atmosphere carbon cycling. Geothermal anomalies or thermal-assisted exploitation can cause a substantial temperature increase on the order of 50 °C within hydrate-bearing sediments, potentially intensifying or weakening the inhibitor effect of salt in seawater on hydrate dissociation with significant uncertainty. In this study, we employed molecular dynamics simulations to unveil the temperature-dependent effect of salt on methane hydrate dissociation kinetics under such strong thermal perturbation. The simulation results demonstrate that at high temperatures (>320 K), salt in seawater promotes hydrate dissociation primarily by directly disrupting the clathrate structure, which differs markedly from the observed mechanism of modulating dissolved methane concentration at low-to-moderate temperatures (268 to 290 K). During temperature elevation, the enhancement of salt on the hydrate dissociation rate reaches a peak of 71% at 325 K. However, beyond this temperature, hydrate dissociation accelerates further. The increased release of water and methane molecules outstrips the spontaneous mass transport driven by concentration gradients, resulting in salt-ion dilution near the hydrate boundary. Consequently, the promoting effect of salt on hydrate dissociation gradually diminishes with rising temperature, decreasing to 28.0% at 345 K. Based on these findings, we propose a method combining depressurization with intermittent hot brine injection to enhance the hydrate dissociation rate while reducing energy consumption.
Kinetic vs Thermodynamic Processes in the Two-Dimensional Crystallization of a Hydrogen-Bonding Building Block.
Tallon B, Husin E, Gorry B … +2 more , Lipton-Duffin J, MacLeod J
Langmuir · 2026 Jun · PMID 42318838 · Publisher ↗
Control of nanoscale pattern formation represents an important step toward the design of functional materials. Here, we present a scanning tunneling microscopy (STM) study in ultrahigh vacuum (UHV) investigating the kine...
Control of nanoscale pattern formation represents an important step toward the design of functional materials. Here, we present a scanning tunneling microscopy (STM) study in ultrahigh vacuum (UHV) investigating the kinetic and thermodynamic processes of the self-assembly of biphenyl-3,3',5,5'-tetracarboxylic acid (BPTCA) on Au(111). STM reveals that at room temperature, molecules form ordered kagome and brick wall structures and that at temperatures above 423 K, two newly identified polymorphs emerge, composed of densely packed arrangements of tilted molecules. We also show that when surfaces were prepared at high temperatures, the proportion of disordered structures was reduced significantly, with surfaces instead showing large kagome domains and the near-total reduction of brick wall structures. Our results provide insight into the energetics of existing and newly discovered self-assembled polymorphs and how growth conditions can be tuned to achieve a desired morphology.
Adhesion-Dependent Receding Contact Line Dynamics of Water Droplets and Residual Droplet Deposition on Inclined Grooved Hydrophobic Surfaces.
Cho Y, Kim JH
Langmuir · 2026 Jun · PMID 42318795 · Publisher ↗
Surface adhesion is a key design parameter in applications of grooved hydrophobic surfaces, such as liquid transport and selective deposition of solid particles. Despite its importance, a systematic understanding of how...
Surface adhesion is a key design parameter in applications of grooved hydrophobic surfaces, such as liquid transport and selective deposition of solid particles. Despite its importance, a systematic understanding of how surface adhesion governs receding contact line dynamics and residual droplet formation remains limited. In this study, the receding contact line dynamics of water droplets were investigated by varying the surface inclination angle, surface adhesion, and the groove-top width. At low inclination angles, droplets on more adhesive surfaces exhibited stronger contact-line pinning and slower retraction, leading to the accumulation of larger droplets on the groove tops. As the inclination angle increased, gravity-driven forcing reduced the overall solid-liquid contact area at the droplet tail; however, larger deposited droplets were still observed due to locally reduced retraction. Increasing the groove-top width further enhanced residual droplet growth in conjunction with surface adhesion. A scaling law derived from dimensional analysis provides a predictive framework for deposited droplet size. Incorporating the nonlinear relationship between surface adhesion and mixing ratio enabled all experimental data to collapse onto a single master curve, offering guidance for the design of grooved hydrophobic surfaces with controlled droplet retention.
Mesoscopic Approach for Disjoining Pressure Effects in Nanoscale Thin Liquid Films on Nanostructured Surfaces.
Hu Z, Gong S, Zhang C … +1 more , Cheng P
Langmuir · 2026 Jun · PMID 42318700 · Publisher ↗
Nanoscale thin liquid films play a pivotal role in diverse natural phenomena and industrial applications, where their evaporation heat transfer characteristics and morphological evolution are critically influenced by dis...
Nanoscale thin liquid films play a pivotal role in diverse natural phenomena and industrial applications, where their evaporation heat transfer characteristics and morphological evolution are critically influenced by disjoining pressure. While classical theories adequately describe this effect on smooth surfaces, the disjoining pressure of liquid films on nanostructured surfaces remains poorly understood. In this work, we propose a mesoscopic model to investigate disjoining pressure effects in nanoscale liquid films on nanostructured substrates, in which long-range solid-fluid interactions are directionally discretized on high-order lattice to enable the treatment of nanostructured surfaces. The model is validated in isothermal and nonisothermal systems, demonstrating its capability to capture disjoining pressure effects on both smooth and nanostructured surfaces. Furthermore, we reveal the fundamental interplay between surface tension and disjoining pressure in dictating the morphology of thin liquid films and provide insights into the Hamaker constants of nanostructured surfaces. A comprehensive stability analysis of thin liquid films on nanostructured surfaces is also presented. This work advances the understanding of microscale mechanisms in liquid-vapor phase change processes and offers a versatile tool for optimizing heat and mass transfer in nanoscale systems.
Nucleation-Directed Mineralized Electrospun Nanofiber Membrane for Ultra-Low-Pressure Oil-in-Water Emulsion Separation with Superior Antifouling Performance.
Yu T, Li X, Wang Z
Langmuir · 2026 Jun · PMID 42316974 · Publisher ↗
The inevitable adhesion and accumulation of oily pollutants on membrane interfaces throughout the oil-water separation processes lead to severe performance degradation, underscoring the urgent need for effective and ener...
The inevitable adhesion and accumulation of oily pollutants on membrane interfaces throughout the oil-water separation processes lead to severe performance degradation, underscoring the urgent need for effective and energy-saving antifouling strategies. Herein, a nucleation-directed mineralization strategy is developed to prepare a Cu(PO) mineralized nanofiber membrane (PAN/CuP) with a micro/nanoparticulate architecture. By preanchoring copper ions onto carboxyl-functionalized electrospun polyacrylonitrile nanofibers as nucleation sites, a uniform and robust mineralized layer is controllably grown, imparting exceptional surface hydrophilicity and underwater superoleophobicity. The phosphate-rich mineral coating endows the PAN/CuP membrane with strong hydration capability, enabling complete oil detachment without prewetting treatment. Under gravity-driven or ultralow-pressure conditions (∼0.01 MPa), the membrane achieves efficient separation of both immiscible oil-water mixtures and surfactant-stabilized emulsions, with separation efficiencies exceeding 99.4%. Benefiting from its robust antifouling capability, the PAN/CuP membrane stably sustains a high flux of 447.3-763 L m h throughout 300 min of continuous cross-flow filtration of oil-in-water emulsions. The fouled membrane can be readily restored by simple water rinsing, attaining a flux recovery ratio (FRR) > 99.2% and an irreversible fouling ratio below 1%, demonstrating nearly complete fouling reversibility. This work provides a robust and energy-efficient strategy for constructing high-performance mineralized nanofiber membranes, offering new insights into the design of advanced antifouling membranes for practical oily wastewater treatment.
From Amino Acids to Proteins via Peptide-Centric Nanopore Technology for Sensing, Probing, and Design.
Ma W, Chen K, Hu G … +3 more , Zhang Y, Jiang Y, Xi D
Langmuir · 2026 Jun · PMID 42316965 · Publisher ↗
Direct, high-resolution analysis of proteins and peptides at the single-molecule level remains a major challenge in biology and medicine. Nanopore technology has emerged as a uniquely powerful tool for label-free, real-t...
Direct, high-resolution analysis of proteins and peptides at the single-molecule level remains a major challenge in biology and medicine. Nanopore technology has emerged as a uniquely powerful tool for label-free, real-time detection of biomolecules. This review comprehensively surveys advances in nanopore sensing, with a focus on peptides as pivotal intermediates between amino acids and full-length proteins. We begin by examining the foundational sensing of individual amino acids, followed by direct peptide analysis encompassing discrimination of isomers, post-translational modifications, and biomarkers. Subsequently, we discuss indirect strategies for protein identification and metal ion detection via peptide probes. Finally, we explore cutting-edge frontiers in peptide sequencing and the de novo design of peptide-based nanopores. With continued development, nanopore sensing holds substantial potential to drive transformative advances in biomolecular analysis, proteomics, and diagnostics.
Deciphering the Effect of Co/Cr Ratio on the High-Temperature Friction of CoCrFeNiTi High-Entropy Alloys: Atomic-Scale Study.
Yang M, Chen J, Zhou Y … +6 more , Li K, Qiang R, Zhang X, Zhang Y, Huang F, Zhou W
Langmuir · 2026 Jun · PMID 42316812 · Publisher ↗
Friction and wear pose significant concerns for moving mechanical components. In this context, CoCrFeNiTi high-entropy alloys (HEAs) have attracted considerable interest owing to their exceptional wear resistance. In thi...
Friction and wear pose significant concerns for moving mechanical components. In this context, CoCrFeNiTi high-entropy alloys (HEAs) have attracted considerable interest owing to their exceptional wear resistance. In this study, through molecular dynamics simulations, investigates the effects of Co/Cr ratio and temperature on the friction behavior of the alloy. The results show that, at room temperature, wear resistance increases nonlinearly with the Co/Cr ratio. Specifically, compared to the alloy with 5% Co and 35% Cr, the alloy with 35% Co and 5% Cr shows reductions of 60.6% in worn atom count, 8.3% in friction force, and 8.5% in friction coefficient. This improvement is attributed to the increased Co/Cr ratio, which elevates the content of hardening phases and raises dislocation density, thereby strengthening the material. When the temperature rises from 300 to 600 K, the friction coefficient enhances to 0.99 (a 41.4% increase), accompanied by the disappearance of BCC and HCP twin structures, a reduction in dislocations, and weakened atomic bonding, resulting in a decrease in wear resistance. This study reveals the mechanisms by which Co/Cr ratio and temperature affect the friction behavior of CoCrFeNiTi HEAs, providing a theoretical basis for the design of high-temperature wear-resistant HEAs.
Stabilization of Cu Nanoclusters on Hydroxylated SiO: Static and Dynamic Contributions from Metal-Support Interactions.
Peng Y, Yang S, Wang Z … +2 more , Zhang W, Chen X
Langmuir · 2026 Jun · PMID 42316554 · Publisher ↗
Oxide-supported nanosized copper clusters exhibit high catalytic activity but often suffer from limited thermal stability governed by the metal-support interaction (MSI). Here, we systematically investigate how surface h...
Oxide-supported nanosized copper clusters exhibit high catalytic activity but often suffer from limited thermal stability governed by the metal-support interaction (MSI). Here, we systematically investigate how surface hydroxylation modulates the interfacial stability of Cu clusters supported on crystalline SiO(001). Four model surfaces with hydroxyl coverages of 0, 3.2, 4.8, and 9.6 OH nm were constructed to isolate hydroxyl effects. Density functional theory (DFT) calculations combined with ab initio molecular dynamics (AIMD) simulations were employed to examine adsorption energetics, interfacial bonding, and high-temperature diffusion behavior. DFT results show that surface hydroxylation markedly strengthens the MSI by enhancing adsorption energies, orbital hybridization, and charge transfer, with a clear size dependence of the adsorption strength. AIMD simulations further reveal that hydroxylation leads to shorter and more localized Cu-O coordination, thereby suppressing the in-plane diffusion and migration of Cu clusters. This migration inhibition saturates with increasing hydroxyl coverage, with 4.8 OH nm identified as a near-optimal regime. At high temperatures, reverse hydrogen spillover induces interfacial reconstruction and forms strong Cu-O anchoring sites. These results establish surface hydroxylation as a tunable interfacial parameter for controlling metal-oxide interactions and suppressing thermally driven cluster migration.
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