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Lithium-ion batteries (LIBs) are being used in locations and applications never imagined when they were first conceived. To enable this broad range of applications, it has become necessary for LIBs to be stable to an ever broader range of conditions, including temperature and energy. Unfortunately, while negative electrodes have received a great deal of focus in electrolyte development, stabilization of positive electrodes remains an elusive target. Here, we report a novel additive that shows the ability to protect positive electrodes against elevated temperatures and voltages. This additive can be used in small quantities, and its targeted behavior allows it to remain functional in complex electrolyte packages. This can prove an effective approach to targeting specific aspects of cell performance.

SnTe is a lead-free and promising p-type thermoelectric material in an intermediate temperature range (500–900 K), but its intrinsic performance is poor due to excess cation vacancies and relativel...

The stability of dispersions containing charged particles may obviously be regulated by salt. In some systems, the effective charge, as measured by the potential some small distance away from the particles, can have a sign opposite to the bare surface charge. If charge reversal takes place, there is typically a salt concentration regime within which colloidal stability increases with added salt. These experimental findings on dispersions have been corroborated by atomic force microscopy investigations, where an attraction is found at short separations. This attraction is stronger than expected from standard DLVO theory, and there has been considerable debate concerning its origin. In this work, we use simple coarse-grained models of these systems, where the bare surfaces carry a uniform charge density, and ion-specific adsorption is absent. Our hypothesis is that these experimental observations can be explained by such a simplistic pure Coulomb based model. Our approach entails grand canonical Metropolis Monte Carlo (MC) simulations as well as correlation-corrected Poisson-Boltzmann (cPB) calculations. In the former case, all ions have a common size, while the cPB utilizes a point-like model. We devote significant attention on apparent surface charge densities and interactions between large flat model surfaces immersed in either a 2:1 salt or a 3:1 salt. In contrast to most of the previous theoretical efforts in this area, we mainly focus on the weak long-ranged repulsion and its connection to an effective surface charge. We find a charge reversal and a concomitant development of a free energy barrier for both salts. The experimentally observed nonmonotonic dependence of colloidal stability on the salt concentration is reproduced using MC simulations as well as cPB calculations. A strong attraction is observed at short range for all investigated cases. We argue that in our model, all non-DLVO aspects can be traced to ion–ion correlations.

We report temperature-dependent ultrafast hot carrier relaxation in graphene oxide (GO). At all temperatures in the range from ∼6 to 400 K, the time evolution of the photoexcited relaxation reveals...

High-performance X-ray detectors are usually based on single crystals, due to the long-range ordering and hence outstanding electronic properties. On the other hand, bulk heterojunctions (BHJs) that can effectively enhance photogenerated exciton dissociation are widely used for photodetectors. The benefits of both spur investigation into how to combine these two strategies to enhance X-ray detection. Here, TiO2 networks are incorporated into PbI2 crystals to form interpenetrating type II heterojunctions, namely BHJs. These BHJs exhibit long-range ordering in molecular packing similar to that of single crystals. Compared with single crystals, the long-range ordered BHJs facilitate the separation of photogenerated electrons and holes to inhibit recombination, extend the mobility lifetime product by 6.4 times, and consequently improve X-ray sensitivity by 5.8 times. Hence, this work provides a new strategy using gel-grown crystals to fabricate high-performance X-ray detectors as well as a new platform for studying the behavior of X-ray-generated carriers in BHJs with long-range ordering.

Although zeolite nanosheets (NSs) exhibit great prospects for a wide range of applications due to microstructural superiority, their facile preparation and microstructural tailoring remain a great ...

A Cu2O film is prepared on a flexible polyethylene terephthalate substrate for a bending sensor using the spin–spray method, a facile and low-environmental-load solution process. The Cu2O bending sensor shows high sensitivity and high resolution not only over a wide range of curvatures (0 < κ < 0.21 mm–1) but also for very small curvature changes (Δκ = ∼ 0.03 mm–1). The bending response of the sensor exhibited a curvature change of high linearity with a good gauge factor (18.2) owing to the grain-boundary resistance and piezoresistive effects of the fabricated Cu2O film. In addition, the sensor possesses good repeatability, stability, and long-term (>30 days) and mechanical fatigue durability (1000 bending–release cycles). The sensor is capable of detailed monitoring of large- and small-scale human motions, such as finger bending, wrist bending, nodding, mouth opening/closing, and swallowing. In addition, excellent stability and repeatability of the monitoring performance is observed over a wide range of motion angles and speeds. All of these results demonstrate the potential of the flexible bending sensor based on the Cu2O film as a candidate for healthcare monitoring and wearable electronics.

We describe experimentally and theoretically the fluoride-induced negative differential resistance (NDR) phenomena observed in conical nanopores operating in aqueous electrolyte solutions. The threshold voltage switching occurs around 1 V and leads to sharp current drops in the nA range with a peak-to-valley ratio close to 10. The experimental characterization of the NDR effect with single pore and multipore samples concern different pore radii, charge concentrations, scan rates, salt concentrations, solvents, and cations. The experimental fact that the effective radius of the pore tip zone is of the same order of magnitude as the Debye length for the low salt concentrations used here is suggestive of a mixed pore surface and bulk conduction regime. Thus, we propose a two-region conductance model where the mobile cations in the vicinity of the negative pore charges are responsible for the surface conductance, while the bulk solution conductance is assumed for the pore center region.

High-performance piezoelectric polymers are promising for a broad range of practical applications, such as sensors, actuators, and energy generators in medical devices, wearable electronics, and so...

CdS has a wide visible-light response range and suitable energy band structure; it has been spotlighted in the field of photocatalysis. Nevertheless, its poor photogenerated carriers separation eff...

Lubricant-infused surfaces (LISs) can promote stable dropwise condensation and improve heat transfer rates due to a low nucleation free-energy barrier and high droplet mobility. Topographical differences in the oil surface cause water microdroplets to rigorously self-propel long distances, continuously redistributing the oil film and potentially refreshing the surface for re-nucleation. Using high-speed microscopy, we reveal that during water condensation on LISs, the smallest visible droplets (diameter ~ 1um, qualitatively representing nucleation) predominantly emerge in oil-poor regions due to a smaller thermal activation barrier. Considering the significant heat transfer performance of microdroplets (< 10um) and transient characteristic of microdroplet movement, we compare the apparent nucleation rate density and water collection rate for LISs with oils of different viscosity and a solid hydrophobic surface at a wide range of subcooling temperatures. Generally, the lowest lubricant viscosity leads to the highest nucleation rate density. We characterize the length and frequency of microdroplet movement and attribute the nucleation enhancement primarily to higher droplet mobility and surface refreshing frequency. Interestingly and unexpectedly, hydrophobic surfaces outperform high-viscosity LISs at high subcooling temperatures, but are generally inferior to any of the tested LISs at low temperature differences. To explain the observed non-linearity between LISs and the solid hydrophobic surface, we introduce two dominant regimes that influence the condensation efficiency: mobility-limited and coalescence-limited. Our findings advance the understanding of dynamic water-lubricant interactions and provide new design rationales for choosing surfaces for enhanced dropwise condensation and water collection efficiencies., submitted to Langmuir

Gas adsorption properties of semiconductor-type gas sensors using porous (pr-) In2O3 powders loaded with and without 0.5 wt % Au (Au/pr-In2O3 and pr-In2O3 sensors, respectively) at 100 °C were examined by using diffuse reflectance infrared Fourier transform spectroscopy, and the effect of the Au loading onto pr-In2O3 on the NO2-sensing properties were discussed in this study. We found the following: the resistance of the Au/pr-In2O3 sensor in dry air is lower than that of the pr-In2O3 sensor; the DRIFT spectra of both the sensors show a broad positive band between 1600 and 1000 cm-1 in dry air (reference: in dry N2 at 100 °C), which mainly originates from oxygen adsorbates and/or lattice oxygen, and that this band is much larger for the Au/pr-In2O3 sensor than for the pr-In2O3 sensor; the Au loading also increases the adsorption amount of H2O and the reactivity of NO2 on the pr-In2O3 surface; and the NO2 response of the Au/pr-In2O3 sensor in dry air is marginally higher than that of the pr-In2O3 sensor in the examined concentration range of NO2 (0.6-5 ppm) in dry air. The obtained results strongly support the enhancement of the NO2 adsorption onto the pr-In2O3 surface by Au loading, which contributed to the improvement of the NO2-sensing properties.

Transition metal carbides find use in a wide range of advanced high-resilience applications including high-strength steels, heat shields, and deep-earth drills. However, carbides of the mid-to-late...

Hierarchically porous metal–organic frameworks (MOFs) not only inherit the merits of MOFs such as high porosity, but they also possess distinct properties such as a broader pore size range and thus...

Metallic hydrogen is expected to exhibit remarkable physics. Of particular interest in this work is the possibility of high-temperature superconductivity. Comparing calculations of the superconducting critical temperatures of the solid phase to melting temperatures over a range of pressures leads to an interesting question: Will the solid, in a superconducting state, melt to a liquid that remains a superconductor? In this work, the possibility of liquid superconductivity in metallic hydrogen is investigated. This is done by first-principles simulations, and using the results of these to solve the Eliashberg equations. These are carried out over the pressure (and temperature) conditions where molecular dissociation is expected to first occur in the solid phase. Over the pressure range $386.8(4)$--$783.7(4)$ GPa, $T_c$ increases from $308(6)$ to $372(2)$ K with a maximum uncertainty of $10$ K; it then decreases to $356(2)$ K at $883.7(3)$ GPa. Comparisons to the solid phase show that the critical temperature is not significantly changed between the two phases, though the physics behind their superconductivity is different. Careful comparisons of these values to recent results in the context of the hydrogen phase diagram show that they are higher than the melting temperatures and that the solid will melt to liquid atomic hydrogen. The results of this work (in this context) therefore suggest that liquid atomic hydrogen will indeed exist in a superconducting state. They also provide the pressure and temperature conditions over which to look for it.

Due to the high theoretical specific capacity and low cost, FeF3·0.33H2O has become one of the potential choices of cathode materials for sodium-ion batteries. However, the poor intrinsic conductivity limits its practical applications. Herein, the atomic substitution is used to improve its intrinsic conductivity. The first-principles calculation results show that Cr3+ doping can reduce the band gap of FeF3·0.33H2O to improve its intrinsic conductivity. The discharge specific capacity of Fe0.95Cr0.05F3·0.33H2O with a narrowest band gap is 194.02 mA h/g at 0.1 C within the range of 1.4-4.0 V, which is higher than that of FeF3·0.33H2O (136.47 mA h/g). Using the electrochemical impedance spectroscopy and galvanostatic intermittent titration technique tests, it is found that Rct of Fe0.95Cr0.05F3·0.33H2O is reduced and DNa+ is almost unchanged, as compared to FeF3·0.33H2O.

Rapid and reliable processing methods for forming ordered block copolymer (BCP) materials with low defect density in a thin film geometry are required for many nanotechnology applications. Vertical...

The effects of atmospheric aerosols on the climate and atmosphere of Earth can vary significantly depending upon their properties, including size, morphology, and phase state, all of which are influenced by varying relative humidity (RH) in the atmosphere. A significant fraction of atmospheric aerosols is below 100 nm in size. However, as a result of size limitations of conventional experimental techniques, how the particle-to-particle variability of the phase state of aerosols influences atmospheric processes is poorly understood. To address this issue, the atomic force microscopy (AFM) methodology that was previously established for sub-micrometer aerosols is extended to measure the water uptake and identify the phase state of individual sucrose nanoparticles. Quantified growth factors (GFs) of individual sucrose nanoparticles up to 60% RH were lower than expected values observed on the sub-micrometer sucrose particles. The effect could be attributed to the semisolid sucrose nanoparticle restructuring on a substrate. At RH > 60%, sucrose nanoparticles are liquid and GFs overlap well with the sub-micrometer particles and theoretical predictions. This suggests that quantification of GFs of nanoparticles may be inaccurate for the RH range where particles are semisolid but becomes accurate at elevated RH where particles are liquid. Despite this, however, the identified phase states of the nanoparticles were comparable to their sub-micrometer counterparts. The identified phase transitions between solid and semisolid and between semisolid and liquid for sucrose were at ∼18 and 60% RH, which are equivalent to viscosities of 1011.2 and 102.5 Pa s, respectively. This work demonstrates that measurements of the phase state using AFM are applicable to nanosized particles, even when the substrate alters the shape of semisolid nanoparticles and alters the GF.

Compared with the electron donor of the bulk heterojunction (BHJ) organic/inorganic photodetectors (OPDs), there is less development in the field of electron acceptors that have strong absorption c...

Droplet impact on a smooth solid surface at atmospheric pressure was experimentally studied and physically interpreted. A particular emphasis of the study is on the effects of liquid viscosity on the transition between droplet deposition (or droplet spreading without breakup) and droplet disintegration (including droplet splash and receding breakup). Specifically, the critical Weber number separating droplet deposition from droplet disintegration decreases and then increases with increasing Ohnesorge number (Oh). The splash in the low-Oh region and the receding breakup in the high-Oh region were analyzed qualitatively based on the unbalanced forces acting on the rim of the spreading or receding liquid film. A semiempirical correlation of droplet deposition/disintegration thresholds is proposed and well fits the experimental results from previous and present studies over a wide range of liquid viscosity.

Electrode calendering is a necessary process used in industry to improve the volumetric capacity of lithium-ion batteries. However, calendering high-nickel cathodes leads to electrode particle pulverization, raising concerns of a reduced cycle life due to parasitic side reactions. We present here an investigation of the impact of calendering on the morphology and electrochemical performance of the cobalt-free layered oxide cathode LiNi0.9Mn0.05Al0.05O2 (NMA-90). We find that secondary particle pulverization and fusion simultaneously occur at sufficiently high pressures. The initial surface area of the cathode is shown to increase with the degree of calendering, despite the higher likelihood of secondary particle fusion. Long-term cycling of full coin cells assembled with the NMA-90 cathode and the graphite anode indicates that cells with higher degrees of cathode calendering exhibit lower capacity fade compared to uncalendered cathodes. Hybrid pulse-power tests demonstrate that the usable capacity range of cells with calendered cathodes far exceeds those with uncalendered cells after long-term cycling. The improved capacity retention and pulse-power performance are attributed to the enhanced mechanical properties of the electrode after calendering that prevents loss of the primary particle contact during long-term cycling. We find that calendering high-nickel NMA-90 to industrially relevant densities does not have a detrimental effect on capacity fade, marking an important step toward commercial adoption.

For drops to contact various surfaces, the removal of the interstitial fluid is the prerequisite to contact. While the conventional understanding is for drops to irreversibly spread on a film made of the same substance, we describe the dynamics of drops initiating contact yet carrying enough momentum to completely lift off of the substrate which we label as contact bouncing. We report new experimental results of the dynamics between drops impacting thin films described by the ratio of the liquid film hL to the drop with diameter D0 for the range of 0.004 < hL/D0 < 0.08. Using high-speed interferometry, we visualize the interfacial gas layer spatiotemporal signatures across the various film thicknesses and Weber numbers. We find that while increasing the deformability of the thin films enhances the gas entrainment phenomenon at early times, it also increases the rate of the gas purging rate, increasing the chance of contact just prior to the gas film retraction and drop lift off sequence. Drops which contact the liquid film during the retraction stage are able to bounce with

We present a comprehensive theory of the magnetic phases in twisted bilayer chromium trihalides through a combination of first-principles calculations and atomistic simulations. We show that the stacking-dependent interlayer exchange leads to an effective moire field that is mostly ferromagnetic with antiferromagnetic patches. A wide range of noncollinear magnetic phases can be stabilized as a function of the twist angle and Dzyaloshinskii-Moriya interaction as a result of the competing interlayer antiferromagnetic coupling and the energy cost for forming domain walls. In particular, we demonstrate that for small twist angles various skyrmion crystal phases can be stabilized in both CrI3 and CrBr3. Our results provide an interpretation for the recent observation of noncollinear magnetic phases in twisted bilayer CrI3 and demonstrate the possibility of engineering further nontrivial magnetic ground states in twisted bilayer chromium trihalides.

In this study, Fe3O4 nanospheres with different levels of hollowness were successfully prepared by the solvent thermal method. The synthesized Fe3O4 nanospheres were characterized by transmission electron microscopy, X-ray diffraction, and vibrating sample magnetometry, and Image-Pro software was used to analyze the hollowness of the Fe3O4 nanospheres for the first time. It was found that excess reactants could lead to the disappearance of the hollow structure of the Fe3O4 nanospheres, and the reason for this phenomenon was discussed as due to entropy increase theory. Furthermore, the influence of the hollowness and size distribution on the magnetic properties of the Fe3O4 nanospheres was evaluated. The magnetic properties of a Fe3O4 nanosphere with a hollowness of 10.48% showed a relatively high saturation magnetization of 103 emu/g and a rather low coercivity (54 Oe). The as-prepared Fe3O4 nanospheres are expected to be useful in a wide range of fields such as drug-delivery and energy applications.

In photosynthesis, the efficiency with which a photogenerated exciton reaches the reaction center is dictated by chromophore energies and the arrangement of chromophores in the supercomplex. Here, we explore the interplay between the arrangement of light-harvesting antennae and the efficiency of exciton transport in purple bacterial photosynthesis. Using a Miller-Abrahams-based exciton hopping model, we compare different arrangements of light-harvesting proteins on the intracytoplasmic membrane. We find that arrangements with aggregated LH1s have a higher efficiency than arrangements with randomly distributed LH1s in a wide range of physiological light fluences. This effect is robust to the introduction of defects on the intracytoplasmic membrane. Our result explains the absence of species with aggregated LH1 arrangements in low-light niches and the large increase seen in the expression of LH1 dimer complexes in high fluences. We suggest that the effect seen in our study is an adaptive strategy toward solar light fluence across different purple bacterial species.

This paper demonstrates the feasibility of a long-range antenna sensor embedded underneath a liquid repellent fabric to be employed as a wearable sensor in personal protective fabrics. The sensor detects and monitors hazardous aqueous liquids on the outer layer of fabrics, to add an additional layer of safety for professionals working in hazardous environments. A modified patch antenna was designed to include a meandering-shaped resonant structure, which was embedded underneath the fabric. Superhydrophobic fabrics were prepared using silica nanoparticles and a low-surface-energy fluorosilane. 4 to 20 μL droplets representing hazardous aqueous solutions were drop-cast on the fabrics to investigate the performance of the embedded antenna sensor. Long-range (S21) measurements at a distance of 2-3 m were performed using the antenna sensor with treated and untreated fabrics. The antenna sensor successfully detected the liquid for both types of fabrics. The resonant frequency sensitivity of the antenna sensor underneath the treated fabric exhibiting superhydrophobicity was measured as 370 kHz/μL, and 1 MHz/μL for the untreated fabric. The results demonstrate that the antenna sensor is a good candidate for wearable hazardous aqueous droplet detection on fabrics.

Compartmentalizing reagents within small droplets is promising for highly efficient conversion and simplified procedures in many biphasic chemical reactions. In this work, surface nanodroplets (i.e., less than 100 nm in their maximal height) were employed to quantitatively understand the size effect on the chemical reaction rate of droplets. In our systems, a surface-active reactant in pure or binary nanodroplets reacted with the reactant in the bulk flow. Meanwhile, the product was removed from the droplet surface. The shrinkage rate of the nanodroplets was characterized by analyzing the lateral size as a function of time, where the droplet size was solely determined by the chemical reaction rate under a given flow condition for the transport of the reactant and the product. We found that the overall kinetics increases rapidly with the decrease in droplet’s lateral radius R, as dR/dt ∼ R–2. The faster increase in the concentration of the product in smaller droplets contributes to accelerating reaction kinetics. The enhancement of reaction rates from small droplet sizes was further confirmed when a nonreactive compound was present inside the droplets without reducing the concentrations of the reactant and the product on the droplet surface. The results of our study improve the understanding of chemical kinetics with droplets. Our findings highlight the effectiveness of small droplets for the design and control of enhanced chemical reactions in a broad range of applications.

High energy (C and D) excitons possess extraordinary influence over the optical properties of atomically thin transition metal dichalcogenides (TMDCs), and the comprehensive understanding of these would play a pivotal role in advancing research on 2D optoelectronics. Herein, we employed transient absorption spectroscopy to monitor the underlying photophysical processes involved with different excitonic features in few layer WS2, modeled as a TMDC representative. We observed a strong intervalley coupling across the momentum space and proposed the most plausible relaxation pathway for different excitons in few layer scenario. C and D exciton dynamics were significantly slower as compared to canonical A and B excitons, as a consequence of the indirect Λ-Γ relaxation in C and D and direct K-K combination in A and B. Most importantly, all four excitons emerge in the system and influence each other irrespective of the incident photon energy, which would be extremely impactful in fabricating wide range photonic devices.

Water collection by dew condensation emerges as a sustainable solution to water scarcity. However, the transient condensation process that involves droplet nucleation, growth, and transport imposes conflicting requirements on surface properties. It is challenging to satisfy all benefits for different condensation stages simultaneously. By mimicking the structures and functions of moss Rhacocarpus, here, we report the attainment of dropwise condensation for efficient water collection even on a hydrophilic surface gated by a liquid suction mechanism. The Rhacocarpus-inspired porous surface (RIPS), which possesses a three-level wettability gradient, facilitates a rapid, directional, and persistent droplet suction. Such suction condensation enables a low nucleation barrier, frequent surface refreshing, and well-defined maximum droplet shedding radius simultaneously. Thus, a maximum ∼160% enhancement in water collection performance compared to the hydrophobic surface is achieved. Our work provides new insights and a design route for developing engineered materials for a wide range of water-harvesting and phase-change heat-transfer applications.

The addition of Fe2O3 into furnaces is a promising method for arsenic pollution control. Nevertheless, Fe2O3 particles undergo serious sintering under actual furnace temperatures. To improve its sintering resistance, Fe2O3 hollow microspheres were synthesized by the template method and were tested in flue gas containing SO2 and NO in the range of 1000-1300 °C. The results demonstrated that the amount of arsenic captured could be steadily maintained above 5 mg/g throughout the operating temperature range, and Fe2O3 microspheres could maintain the originally developed pore structure and hollow morphology well even at 1200 °C. Based on product analysis and density functional theory calculations, the fixation pathway of arsenic was proposed. In no oxygen conditions, As2O3 was first bound to the Fe2O3 surface by forming an -O-As-O-Fe stable structure and then was oxidized by lattice oxygen. The introduction of O2 could regenerate the consumed lattice oxygen and therefore promote arsenic capture. Finally, the oxidized arsenic was fixed in products in the form of FeAsO4. Additionally, the impact of acid gases was also investigated. SO2 showed a notable inhibiting effect on arsenic capture, while the impact of NO was less noticeable.

Controlling droplet deposition with a minute amount of polymer additives is of profound practical importance in a wild range of applications. Previous work ascribed the relevant mechanisms to extensional viscosity, normal stress, wetting properties, etc., but the mechanism remains controversial. In this paper, we employ molecular dynamics simulations systematically for the first time to investigate the origin of rebound suppression for dilute polymer solution droplets on a flat superhydrophobic substrate. The results demonstrate that polymer-substrate interactions and impact velocities dominate the antirebound phenomenon. For low impact velocities, the dynamic characteristics of droplets are insensitive to polymer additives. However, large impact velocities will enhance the stretch behavior of polymer chains and make the chains closer to the substrate, increasing the probability of polymer molecules contacting the bottom substrate. With the cooperation of strong polymer-substrate interactions, polymer molecules can be absorbed easily by the bottom substrate, resisting the retraction process and leading to the onset of the antirebound behavior.

The present work examines the impact of the dimensionality of single-particle models (SPMs) for the pyrolysis of thermally thick biomass particles. It builds up comprehensive one- and three-dimensional SPMs and assesses their performances to gain a systematic understanding of the accuracy of predicted results, predictive capability, and computational costs. Cylindrical wheat straw pellets with an average size of 10 mm length and 7 mm diameter were studied on their pyrolysis performances at temperatures ranged from 200 to 700 °C. It investigates the correlation between the inner heating rate of the particle and the resulting irregular porosity distribution in the pyrolyzed particle. The predictions of the models are in good agreement with the experimental measurement, and they show that the predicted char yield is not sensitive to the model dimensionality; however, the rate of mass loss and the char porosity are sensitive to the model dimensionality. Additionally, the three-dimensional SPM is found to be compatible with a wider range of biomass types. The model captures a higher heating rate at the surface and at the center of the particle compared to the region in between. This is linked to an uneven porosity distribution in the pyrolyzed particle, which is higher at the surface and at the center of the particle. While the three-dimensional SPM provides a small improvement in the prediction of the temperature profile compared to the one-dimensional model but offers additional details (e.g., temperature distribution, heating rate, and porosity distribution inside the particle); it requires significantly greater computational times, which might not be justifiable in many situations.

Self-assembled water-in-oil (W/O) microemulsions have been reported as a suitable route for synthesis of size-controlled nanoparticles. However, the mechanism of formation of nanoparticles in microemulsions is still not completely understood. In this work, gold nanoparticles (GNPs) were synthesized via the W/O microemulsion route. As the molar ratio of water and dioctyl sodium sulphosuccinate (AOT) (R) increased from 2.5 to 5.0 to 7.5, the corresponding water drop diameter increased from 2.7 to 5.0 to 7.3 nm. In parallel, the mean hydrodynamic diameter of GNPs increased from 6.5 to 11.3 to 15.6 nm for corresponding R values of 2.5, 5.0, and 7.5. Therefore, although there is a monotonically increasing trend of the mean diameter of GNPs with the initial drop diameter, for all values of R, the mean diameter of GNPs was significantly higher than the initial drop diameter. Consequently, previously known simulation vastly underpredicts the experimental GNP diameter. However, only on redefining the particle-particle coagulation event (during coalescence of microemulsion drops containing particles) does the current kinetic Monte Carlo (kMC) simulation agree well with the experimental results. In addition, we also find that the coagulation efficiency of solid nanoparticles (βp) increases with R, and βp is lesser than the coalescence efficiency of liquid drops (βd) over the range of R values concerned. Hence, a combined simulation and experimental study enumerates the dynamics of size evolution of nanoparticles and the events involved in their formation in a W/O microemulsion system.

Electron collision with liquid water is theoretically investigated and reported in this article. The range of projectile energy considered is 10-5000 eV, covering all major channels, viz., ionization, inelastic, elastic, and total scattering. The liquid phase electron charge density and static potential are generated and used in the calculation under a spherical complex optical potential formalism to achieve the goals. For the ionization channel, the complex scattering potential-ionization contribution method is used. The agreement with available theoretical data is satisfactory. The study on the total electron scattering from liquid water, using a common method for elastic and inelastic cross sections, is new and requires further attempts to support the reported data.

Heavy metals, such as lead ions, are regarded as the main environmental contaminants and have a negative impact on human bodies, making detection technologies of lead ions critical. However, most existing detection methods suffer from time consumption, complicated sample pretreatment, and expensive equipment, which hinder their broad use in real-time detection. Herein, we show a new fluorescence sensor for detecting lead ions derived from liquid crystals doped with an aggregation-induced emission luminogen. The mechanism is based on the variation of fluorescence intensity caused by the disturbance of an ordered liquid crystal configuration in the presence of Pb2+, induced by DNAzyme and its catalytic cleavage. The proposed fluorescence sensor exhibits a low detection limit of 0.65 nM, which is 2 orders of magnitude lower than that previously reported in an optical sensor based on liquid crystals. The detection range of the Pb2+ fluorescence sensor is broad, from 20 nM to 100 μM, and it also selects lead ions from numerous metal ions exactly, resulting in a highly sensitive, highly selective, simple, and low-cost detection strategy of Pb2+ with potential applications in chemical and biological fields. This approach to designing a liquid crystal fluorescence sensor offers an inspiring stage for detecting biomacromolecules or other heavy metal ions by varying decorated molecules.

Two-dimensional (2D) materials exhibit a wide range of optical, electronic, and quantum properties divergent from their bulk counterparts. To realize scalable 2D materials, metal–organic chemical v...

The mechanical adaptability of a family of six one-dimensional crystalline coordination polymers (CPs) of cadmium ([CdX2(3-X′py)2]n ; 1: X = Br, X′ = Cl, 2: X = I, X′ = Cl, 3: X = I, X′ = Br, 4: X = Cl, X′ = I, 5: X = Br, X′ = I, and 6: X, X′ = I) to applied external force was examined, and a plethora of flexible responses was noticed. While two of the six CPs (4 and 6) were slightly elastic, the remaining four CPs (1–3 and 5) presented variable plastic deformation ; three of these (1–3) displayed exceptional crystal flow, and one (2) demonstrated unprecedented ductility of crystalline metal–organic material. The feature was examined by theory and custom-designed experiments, and it was shown that specific and directional intermolecular interactions are not only the most influential structural feature in determining the type of mechanical responses (i.e., elastic vs plastic), with interlocking of adjacent molecules playing only a supportive role, but also an unavoidable tool for dialing-in a diversity of plastic responses in Cd(II) coordination polymers.

Electrostatic interaction is widely considered to be the main driving force of the adsorption of polyelectrolytes (PEs) on an oppositely charged surface. Therefore, the alteration of charge distribution as a result of varying PE chain structures will directly affect the performance of the adsorption behaviors in the system at a certain monomer concentration. In this work, we studied the effects of chain structure (chain length, Nₘ) as well as sequence variables including charge fraction and blockiness on the adsorption behaviors of block-PEs on an oppositely charged planar surface in the salt-free system using PE-Poisson–Boltzmann equations. Due to the complicated competitions among the translational entropies of PEs and counterions, the conformational entropy of PEs, and the surface attractive interactions, we find that the adsorption amounts show rich behaviors. First, the adsorption amounts of charged ζc and neutral ζₙ monomers both show two-stage behaviors, that is, ζc and ζₙ drastically increase with Nₘ for short chains but moderately increase to an asymptotic value for relatively long chains. Second, the adsorption amounts of charged monomers show non-monotonic behaviors (increase first then decrease) with charge fraction. However, the adsorption amounts of neutral monomers monotonically decrease with charge fraction. Finally, when chain length and charge fraction are unchanged, the adsorption amounts of both neutral and charged monomers are independent of blockiness. Moreover, we find that overcharging can only appear when the bare surface charge density is low enough, while charge reversal and inversion can be observed in the entire range of the bare surface charge density with appropriate conditions. Additionally, our results indicate that the strength of charge reversal and inversion increases monotonically with chain length and charge fraction, while it changes non-monotonically with blockiness.