Langmuir : the ACS Journal of Surfaces and Colloids

This study reveals the microscopic mechanical balance at the three-phase contact line (TPCL) of an interfacial nanobubble on a substrate with a wettability pattern using molecular dynamics simulations. The apparent contact angle was compared to that evaluated using Young's equation, in which the interfacial tensions were computed using a mechanical route. The comparison was conducted by changing the wettability of the substrate from hydrophilic to neutral while maintaining a hydrophobic region in the center of the substrate...

In this work, an effective strategy for the large-scale fabrication of highly porous CuO/Cu2 O/Cu/carbon (P-Cu-C) has been established. Cu-cross-linked aerogels were first continuously prepared using a continuous flow mode to form uniform beads, which were transformed into P-Cu-C with a subsequent pyrolysis process. Various pyrolysis temperatures were used to form a series of P-Cu-C including P-Cu-C-250, P-Cu-C-200, P-Cu-C-350, and P-Cu-C-450 to investigate suitable pyrolysis conversion processes. The obtained P-Cu-C series were utilized as anodes of lithium-ion batteries, in which P-Cu-C-250 exhibited a higher reversible gravimetric capacity, excellent rate capability, and superior cycle stability...

Owing to the rapid increase in anthropogenic emission of carbon dioxide (CO2 ) in the atmosphere, which has resulted in a number of global climate challenges, a decrease in CO2 emissions is urgently needed in the current scenario. This study focuses on the development and characterization of composites for carbon dioxide (CO2 ) separation. The composites consist of two task-specific ionic liquids (TSILs), namely, tetramethylgunidinium imidazole [TMGHIM] and tetramethylgunidinium phenol [TMGHPhO], impregnated in ZIF-8...

In this work, a novel birnessite-type MnO2 modified corn husk sustainable biomass fiber (MnO2 @CHF) adsorbent was fabricated for efficient cadmium (Cd) removal from aquatic environments. MnO2 @CHF was designed from KMnO4 hydrothermally treated with corn husk fibers. Various characterization revealed that MnO2 @CHF possessed the hierarchical structure nanosheets, large specific surface area, and multiple oxygen-containing functional groups. Batch adsorption experimental results indicated that the highest Cd (II) removal rate could be obtained at the optimal conditions of adsorbent amount of 0...

Cationic and anionic polyelectrolytes, poly(vinylbenzyl trimethylammonium chloride) (PVBTA) and poly(sodium styrene sulfate) (PSSS), were grafted on the surface of the silica particles, respectively, and then these two types of polyelectrolyte-grafted silica particles were applied to the colloidal layer preparation by convective self-assembly (CSA) using hydrophilic or hydrophobic glass substrates to investigate the effect of the interactions between the particles and the substrate surface on the resultant layer structures...

In recent decades, nucleic acid self-assemblies have emerged as popular nanomaterials due to their programmable and robust assembly, prescribed geometry, and versatile functionality. However, it remains a challenge to purify large quantities of DNA nanostructures or DNA-templated nanocomplexes for various applications. Commonly used purification methods are either limited by a small scale or incompatible with functionalized structures. To address this unmet need, we present a robust and scalable method of purifying DNA nanostructures by Sepharose resin-based size exclusion...

The absorption of CO2 by polyethylenimine polymer (PEI) materials is of great interest in connection with proposed carbon capture technologies, and the successful development of this technology requires testing methods quantifying the amount of CO2 , H2 O, and reaction byproducts under operating conditions. We anticipate that dielectric measurements have the potential for quantifying both the extent of CO2 and H2 O absorption within the PEI matrix material as well as insights into subsequent reaction byproducts that can be expected to occur in the presence of moisture...

Ferroelectric switching and retention performance of poly(vinylidene fluoride) (PVDF) thin films improve by the incorporation of unmodified smectite montmorillonite (MMT) clay nanodielectric. In the present study, an intercalated PVDF (clay/PVDF) thin film with edge-on β-crystallite is fabricated via a heat-controlled spin coating (HCSC) technique. This provides an efficient and simple way to fabricate the edge-on oriented crystallite lamellae with an electroactive β-phase, facilitating nanoscale ferroelectric switching at a lower voltage compared to the face-on orientation...

Experimental studies have demonstrated that the gas phase contact angle (CA) of a surface nanobubble (SNB) is much smaller than that of a macroscopic gas bubble. This reduced CA plays a crucial role in prolonging the lifetime of SNBs by lowering the bubble pressure and preventing gas molecules from dissolving in the surrounding liquids. Despite extensive efforts to explain the anomalously small CA, a consensus about the underlying reasons is yet to be reached. In this study, we conducted experimental investigations to explore the influence of gas molecules adsorbed at the solid-liquid interface on the CA of SNBs created through the solvent exchange (SE) method and temperature difference (TD)...

The technological importance of SnO2 and SnO has invited scientists to explore various aspects, including their synthesis in the nanosize regime, surface functionalization, and composite formation. In the present work, a binuclear Sn2 -EDTA complex has been demonstrated to produce a SnO-graphite composite and C, N-codoped SnO2 nanocrystals with ester functionality in quantitative yields by thermal and solvothermal dissociation processes. The products were characterized extensively. While SnO in the SnO-graphite composite exhibited tetragonal symmetry, graphitic carbon had defects...

In this study, a simple, green, and low-cost room temperature synthesis of broccoli-like silver nanoflowers (AgNF) with a particle size of about 300-500 nm was developed using plant-derived caffeic acid as a reducing agent and polyvinylpyrrolidone as a dispersant under ultrasound assistance. The flower clusters covered by small nanocrystals of 20-50 nm significantly enhance the electromagnetic field signals. AgNF was deposited on the surface of silicon wafers as a surface-enhanced Raman spectroscopy sensor for the detection of probe molecules such as rhodamine 6G (R6G) and malachite green with high sensitivity, homogeneity, and reproducibility...

Classical theories of particle aggregation, such as Derjaguin-Landau-Verwey-Overbeek (DLVO), do not explain recent observations of ion-specific effects or the complex concentration dependence for aggregation. Thus, here, we probe the molecular mechanisms by which selected alkali nitrate ions (Na+ , K+ , and NO3 - ) influence aggregation of the mineral boehmite (γ-AlOOH) nanoparticles. Nanoparticle aggregation was analyzed using classical molecular dynamics (CMD) simulations coupled with the metadynamics rare event approach for stoichiometric surface terminations of two boehmite crystal faces...

Fabrication of codoped photocatalysts is a developing area of research. Herein, we explore the visible light photocatalytic properties of Cu, Zn codoped BiVO4 particles. Doping lower valent cations (Cu and Zn) makes the BiVO4 surface more acidic and enables us to target the basic crystal violet (CV) dye. The adopted hydrothermal protocol of synthesis results in the formation of Cu-Zn codoped monoclinic BiVO4 particles. Undoped monoclinic BiVO4 , prepared by the same protocol, showed significant formation of oxygen vacancies...

In the present study, a novel silane coupling agent, designated INSi, was synthesized via a facile synthetic route, incorporating indole-functional moieties. This agent was further employed for the surface modification of homemade silica nanomicrospheres (SMPs). The ensuing nanomicrosphere composite, denoted as SiO2 @IN, exemplified pronounced interfacial π-π interactions. Optimization of the reaction conditions was conducted using the response surface optimization technique. Subsequent validation of interfacial π-π interactions was accomplished through a synergistic approach, integrating theoretical calculations and comprehensive analyses of spectral and morphological attributes exhibited by the SiO2 @IN...

Second-order perturbation solutions of profiles of bubbles suspended in liquid and liquid-gas interfaces when liquid all sinks in the bottom with different accelerations are derived. Six procedures are developed based on these solutions, and they are divided into two types. One type takes the coordinates of end points of profiles as input, and the other type takes liquid volume or gas volume as input. Numerical simulations are performed with the Volume of Fluid method, and numerical results are in good agreement with the predictions of these procedures...

The two-dimensional (2D) semiconducting family of XSi2 N4 (X = Mo and W), an emergent class of air-stable monolayers, has recently gained attention due to its distinctive structural, mechanical, transport, and optical properties. However, the electrical contact between XSi2 N4 and metals remains a mystery. In this study, we inspect the electronic and transport properties, specifically the Schottky barrier height (SBH) and tunneling probability, of XSi2 N4 -based van der Waals contacts by means of first-principles calculations...

Based on the typical similar repeat units (abcdefg) n of α-helical structure, the peptide H was designed to self-assemble into an organohydrogel in response to pH. Depending on the different pH, the proportions of secondary structure, microstructure, and mechanical properties of the gel were investigated. Circular dichroism (CD) and Fourier transform infrared (FT-IR) showed that the proportion of α-helical structure gradually increased to become dominant with the increase of pH. Combining transmission electron microscopy (TEM) and atomic force microscopy (AFM), it was found that the increase of the ordered α-helix structure promoted fiber formation...

With the increasing requirements for clean and effective utilization, coal swelling pretreatment provides a good theoretical basis for coal molecular structure, application in coal pyrolysis, and liquefaction. Ionic liquids containing magnetic anionic groups were designed, synthesized, and used as solvents to study the effect on swelling pyrolysis performance. Studies have shown magnetism enhancement with the growth of alkyl chains. The growth of the MIL alkyl side chain made the modification effect of coal more obvious, and the swelling degree showed a trend of first increasing and then decreasing with the increase of temperature and time, and at the temperature of 35 °C, the swelling degree is the largest when the modification time is 8 h...

Biofouling and bacterial infections are significant challenges in biomedical devices. In this study, a biocompatible dual-functional coating with antimicrobial and antifouling properties is developed by co-depositing the zwitterionic copolymer and silver nanoparticles via a dopamine-assisted strategy. Inspired by mussel adhesion, the coating exhibits substrate-independent adhesion as a result of the formation of irreversible covalent bonds. The zwitterionic copolymer in the dual coating plays a crucial role in improving surface wettability and reducing protein adsorption and platelet and bacterial adhesion, thereby improving its antifouling property significantly...

Understanding the mechanics of blisters confined by two-dimensional (2D) materials is of great importance for either fundamental studies or for their practical applications. In this work, we investigate the mechanical properties of nanoscale 2D material blisters using contact-resonance atomic force microscopy (CR-AFM). From the measurement results at the blister centers, the blisters' internal pressures are characterized, which are shown to be inversely proportional to the blisters' sizes. Our measurements agree considerably well with values predicted by theoretical mechanic analyses of the blisters...