Nanomaterials

Metakaolin (MK) is a high-quality, reactive nanomaterial that holds promising potential for large-scale use in improving the sustainability of cement and concrete production. It can replace cement due to its pozzolanic reaction with calcium hydroxide and water to form cementitious compounds. Therefore, understanding the dissolution mechanism is crucial to fully comprehending its pozzolanic reactivity. In this study, we present an approach for computing the activation energies required for the dissolution of metakaolin (MK) silicate units at far-from-equilibrium conditions using the improved dimer method (IDM) and the transition-state theory (TST) within density functional theory (DFT). Four different models were prepared to calculate the activation energies required for breaking oxo-bridging bonds between silicate or aluminate units. Our results showed that the activation energy for breaking the oxo-bridging bond to a silicate neighbor is higher than that to an aluminate neighbor due to the ionic interaction. However, for complete silicate tetrahedra dissolution, a higher activation energy is required for breaking the oxo-bridging bond to the aluminate neighbor compared to the silicate neighbor. The findings provide methodology for missing input data to predict the mesoscopic dissolution rate, e.g., by the atomistic kinetic Monte Carlo (KMC) upscaling approach. Full article

The COVID-19 pandemic has increased the usage of personal protective equipment (PPE) all round the world and, in turn, it has also increased the waste caused by disposable PPE. This has exerted a severe environmental impact, so in our work, we propose the utilization of a sustainable electrospun nanofiber based on poly lactic acid (PLA), as it is biobased and conditionally degradable. We optimized the weight percentage of the PLA-precursor solution and found that 19% PLA produces fine nanofibers with good morphology. We also introduced carbon nanodots (CNDs) in the nanofibers and evaluated their antibacterial efficiency. We used 1, 2, 3, and 4% CNDs with 19% PLA and found increased antibacterial activity with increased concentrations of CNDs. Additionally, we also applied a spunbond-nanofiber layered assembly for the medical face masks and found that with the addition of only 0.45 mg/cm² on the nonwoven sheet, excellent particle filtration efficiency of 96.5% and a differential pressure of 39 Pa/cm² were achieved, meeting the basic requirements for Type I medical face masks (ASTM-F2100). Full article

The environmental problems in the world are attracting increasing amounts of attention, and heavy metal pollution in the water has become one of the focuses of the ecological environment. Molybdenum disulfide (MoS₂) has excellent adsorption performance because of its extremely high specific surface area and unique active site structure, which has attracted an increasing amount of attention in the field of heavy metal disposal in various types of water. In this paper, two sorts of MoS₂ nanoparticles, spherical and lamellar, were synthesized by different chemical methods. Their morphology and structure were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and a Raman spectrometer. The adsorption properties of two sorts of MoS₂ nanoparticles for copper (Ⅱ) ions in water were investigated by changing the pH value, adsorption time, initial concentration of solution, adsorption temperature, etc. Finally, the adsorption mechanism was analyzed by kinetic, isothermal, and thermodynamic models. The results show that two microstructures of MoS₂ nanoparticles can be used as efficient adsorption materials for removing heavy metal ions from water, although there are differences in adsorption capacity between them, which expands the theoretical basis of heavy metal adsorption in a water environment. Full article

The conversion of worthless municipal solid wastes to valuables is a major step towards environmental conservation and sustainability. This work successfully proposed a technique to utilize the two most commonly available municipal solid wastes viz polythene (PE) and sugarcane bagasse (SB) for water decolorization application. An SBPE composite material was developed and co-pyrolyzed under an inert atmosphere to develop the activated SBPEAC composite. Both SBPE and SBPEAC composites were characterized to analyze their morphological characteristics, specific surface area, chemical functional groups, and elemental composition. The adsorption efficacies of the composites were comparatively tested in the removal of malachite green (MG) from water. The SBPEAC composite had a specific surface area of 284.5 m²/g and a pore size of ~1.33 nm. Batch-scale experiments revealed that the SBPEAC composite performed better toward MG adsorption compared to the SBPE composite. The maximum MG uptakes at 318 K on SBPEAC and SBPE were 926.6 and 375.6 mg/g, respectively. The adsorption of MG on both composites was endothermic. The isotherm and kinetic modeling data for MG adsorption on SBPEAC was fitted to pseudo-second-order kinetic and Langmuir isotherm models, while Elovich kinetic and D-R isotherm models were better fitted for MG adsorption on SBPE. Mechanistically, the MG adsorption on both SBPE and SBPEAC composites involved electrostatic interaction, H-bonding, and π-π/n-π interactions. Full article

Hydrotalcite, first found in natural ores, has important applications in supercapacitors. NiCoAl-LDH, as a hydrotalcite-like compound with good crystallinity, is commonly synthesized by a hydrothermal method. Al${}^{3+}$ plays an important role in the crystallization of hydrotalcite and can provide stable trivalent cations, which is conducive to the formation of hydrotalcite. However, aluminum and its hydroxides are unstable in a strong alkaline electrolyte; therefore, a secondary alkali treatment is proposed in this work to produce cation vacancies. The hydrophilicity of the NiCoAl-OH surface with cation vacancy has been greatly improved, which is conducive to the wetting and infiltration of electrolyte in water-based supercapacitors. At the same time, cation vacancies generate a large number of defects as active sites for energy storage. As a result, the specific capacity of the NiCoAl-OH electrode after 10,000 cycles can be maintained at 94.1%, which is much better than the NiCoAl-LDH material of 74%. Full article

Transparent conductive films (TCFs) were fabricated through bar-coating with a water-in-toluene emulsion containing Ag nanoparticles (AgNPs). Morphological changes in the self-assembled TCF networks under different emulsion formulations and coating conditions and the corresponding optoelectrical properties were investigated. In preparing various emulsions, the concentration of AgNPs and the water weight fraction were important factors for determining the size of the water droplets, which plays a decisive role in controlling the optoelectrical properties of the TCFs affected by open cells and conductive lines. An increased concentration of AgNPs and decreased water weight fraction resulted in a decreased droplet size, thus altering the optoelectrical properties. The coating conditions, such as coating thickness and drying temperature, changed the degree of water droplet coalescence due to different emulsion drying rates, which also affected the final self-assembled network structure and optoelectrical properties of the TCFs. Systematically controlling various material and process conditions, we explored a coating strategy to enhance the optoelectrical properties of TCFs, resulting in an achieved transmittance of 86 ± 0.2%, a haze of 4 ± 0.2%, and a sheet resistance of 35 ± 2.8 Ω/□. TCFs with such optimal properties can be applied to touch screen fields. Full article

The evaluation of cell elasticity is becoming increasingly significant, since it is now known that it impacts physiological mechanisms, such as stem cell differentiation and embryogenesis, as well as pathological processes, such as cancer invasiveness and endothelial senescence. However, the results of single-cell mechanical measurements vary considerably, not only due to systematic instrumental errors but also due to the dynamic and non-homogenous nature of the sample. In this work, relying on Chiaro nanoindenter (Optics11Life), we characterized in depth the nanoindentation experimental procedure, in order to highlight whether and how experimental conditions could affect measurements of living cell stiffness. We demonstrated that the procedure can be quite insensitive to technical replicates and that several biological conditions, such as cell confluency, starvation and passage, significantly impact the results. Experiments should be designed to maximally avoid inhomogeneous scenarios to avoid divergences in the measured phenotype. Full article

To screen a suitable precursor, the effects of palladium salts on performance of Pd nanocatalysts for the oxidation of volatile organic components (VOCs) were investigated. A series of catalysts was prepared by impregnating Pd(NO₃)₂, PdCl₂ and Pd(NH₃)₄Cl₂ on alumina-coated cordierites. These catalysts were characterized by XRF, ICP-OES, XRD, N₂ adsorption-desorption, TEM, EDS, Raman spectroscopy, pulse-CO chemisorption, H₂-TPR, NH₃-TPD, and XPS. Pulse-CO chemisorption and TEM showed that Pd species formed by Pd(NO₃)₂ have the highest metal dispersion (17.7%), while the other two were aggregating. For the same Pd loading, the higher the metal dispersion, the more the number of PdO species, so the number of PdO particles in the catalyst prepared from Pd (NO₃) ₂ is the largest. The catalytic oxidation activities of these catalysts were evaluated by ethane and propane. Based on a 99% conversion in the oxidation of ethane and propane at 598 K and 583 K, respectively, the catalyst prepared from Pd(NO₃)₂ was considered to be the best performing catalyst. The chloride species in precursors can promote the aggregation of Pd species and poison the catalysts. The results show that Pd(NO₃)₂ is more suitable as the precursor of VOC oxidation catalyst than PdCl₂ and Pd(NH₃)₄Cl₂. Full article

H₂O₂ generation via an electrochemical two-electron oxygen reduction (2e⁻ ORR) is a potential candidate to replace the industrial anthraquinone process. In this study, porous carbon catalysts co-doped by nitrogen and oxygen are successfully synthesized by the pyrolysis and oxidation of a ZIF-67 precursor. The catalyst exhibits a selectivity of ~83.1% for 2e⁻ ORR, with the electron-transferring number approaching 2.33, and generation rate of 2909.79 mmol g⁻¹ h⁻¹ at 0.36 V (vs. RHE) in KOH solution (0.1 M). The results prove that graphitic N and –COOH functional groups act as the catalytic centers for this reaction, and the two functional groups work together to greatly enhance the performance of 2e⁻ ORR. In addition, the introduction of the –COOH functional group increases the hydrophilicity and the zeta potential of the carbon materials, which also promotes the 2e⁻ ORR. The study provides a new understanding of the production of H₂O₂ by electrocatalytic oxygen reduction with MOF-derived carbon catalysts. Full article

Multilayered van der Waals heterostructures based on transition metal dichalcogenides are suitable platforms on which to study interlayer (dipolar) excitons, in which electrons and holes are localized in different layers. Interestingly, these excitonic complexes exhibit pronounced valley Zeeman signatures, but how their spin-valley physics can be further altered due to external parameters—such as electric field and interlayer separation—remains largely unexplored. Here, we perform a systematic analysis of the spin-valley physics in MoSe${}_2$/WSe${}_2$ heterobilayers under the influence of an external electric field and changes of the interlayer separation. In particular, we analyze the spin ($S_z$) and orbital ($L_z$) degrees of freedom, and the symmetry properties of the relevant band edges (at K, Q, and $\mathsf{\Gamma }$ points) of high-symmetry stackings at 0° (R-type) and 60° (H-type) angles—the important building blocks present in moiré or atomically reconstructed structures. We reveal distinct hybridization signatures on the spin and the orbital degrees of freedom of low-energy bands, due to the wave function mixing between the layers, which are stacking-dependent, and can be further modified by electric field and interlayer distance variation. We find that H-type stackings favor large changes in the g-factors as a function of the electric field, e.g., from $-5$ to 3 in the valence bands of the H${}_{\mathrm{h}}^{\mathrm{h}}$ stacking, because of the opposite orientation of $S_z$ and $L_z$ of the individual monolayers. For the low-energy dipolar excitons (direct and indirect in k-space), we quantify the electric dipole moments and polarizabilities, reflecting the layer delocalization of the constituent bands. Furthermore, our results show that direct dipolar excitons carry a robust valley Zeeman effect nearly independent of the electric field, but tunable by the interlayer distance, which can be rendered experimentally accessible via applied external pressure. For the momentum-indirect dipolar excitons, our symmetry analysis indicates that phonon-mediated optical processes can easily take place. In particular, for the indirect excitons with conduction bands at the Q point for H-type stackings, we find marked variations of the valley Zeeman (∼4) as a function of the electric field, which notably stands out from the other dipolar exciton species. Our analysis suggests that stronger signatures of the coupled spin-valley physics are favored in H-type stackings, which can be experimentally investigated in samples with twist angle close to 60°. In summary, our study provides fundamental microscopic insights into the spin-valley physics of van der Waals heterostructures, which are relevant to understanding the valley Zeeman splitting of dipolar excitonic complexes, and also intralayer excitons. Full article

Textural and morphological features of hydrophobic silicon dioxide, obtained by the hydrolysis of tetraethoxysilane in an ammonia medium followed by modification of a spherical SiO₂ particles surface with a hydrophobic polymethylhydrosiloxane, were studied in this work. The size of silicon dioxide particles was controlled during preparation based on the Stöber process by variation of the amount of water (mol) in relation to other components. The ratio of components, synthesis time and amount of the hydrophobizing agent were determined to obtain superhydrophobic monodisperse silicon dioxide with a spherical particle size of 50–400 nm and a contact angle of more than 150°. In the case of the struvite example, it was demonstrated that the application of spherical- shaped hydrophobic silicon dioxide particles in powder compounds significantly improves the flowability of crystalline hydrates. The functional additive based on the developed silicon dioxide particles makes it possible to implement the use of crystalline hydrates in fire-extinguishing powders, preventing agglomeration and caking processes. The high fire-extinguishing efficiency of the powder composition based on struvite and the developed functional additive has been proven by using thermal analysis methods (TGA/DSC). Full article

Structural unsteadiness and sluggish diffusion of divalent zinc cations in cathodes during cycling severely limit further applications of MoS₂ for rechargeable aqueous zinc-ion batteries (ZIBs). To circumvent these hurdles, herein, phosphorus (P) atom embedded three-dimensional marigold-shaped 1T MoS₂ structures combined with the design of S vacancies (Sv) are synthesized via the oxygen-assisted solvent heat method. The oxygen-assisted method is utilized to aid the P-embedding into the MoS₂ crystal, which can expand the interlayer spacing of P-MoS₂ and strengthen Zn²⁺ intercalation/deintercalation. Meanwhile, the three-dimensional marigold-shaped structure with 1T phase retains the internal free space, can adapt to the volume change during charge and discharge, and improve the overall conductivity. Moreover, Sv is not only conducive to the formation of rich active sites to diffuse electrons and Zn²⁺ but also improves the storage capacity of Zn²⁺. The electrochemical results show that P-MoS₂ can reach a high specific capacity of 249 mAh g⁻¹ at 0.1 A g⁻¹. The capacity remains at 102 mAh g⁻¹ after 3260 cycles at a current of 0.5 A g⁻¹, showing excellent electrochemical performance for Zn²⁺ ion storage. This research provides a more efficient method of P atom embedded MoS₂-based electrodes and will heighten our comprehension of developing cathodes for the ZIBs. Full article

Titanium dioxide nanoparticles were combined with carbon nanotubes and gold to develop improved photocatalysts for the production of hydrogen from water. The entangled nature of the nanotubes allowed for the integration of the photoactive hybrid catalyst, as a packed-bed, in a microfluidic photoreactor, and the chips were studied in the photocatalyzed continuous flow production of hydrogen. The combination of titanium dioxide with carbon nanotubes and gold significantly improved hydrogen production due to a synergistic effect between the multi-component system and the stabilization of the active catalytic species. The titanium dioxide/carbon nanotubes/gold system permitted a 2.5-fold increase in hydrogen production, compared to that of titanium dioxide/carbon nanotubes, and a 20-fold increase, compared to that of titanium dioxide. Full article

Recently, researchers are conducting studies to improve the mechanical and chemical properties of cementitious composites mixed with nanomaterials. Defects may occur inside nano-cementitious composites due to nanomaterial agglomeration in the manufacturing process. These defects can degrade the mechanical performance of the nano-cementitious composite. This study performs ultrasonic non-destructive and compressive strength tests according to the size of defects in nano-cementitious composites. Multi-walled carbon nanotubes (MWCNTs) were used for the nanomaterial, and internal defects of various sizes were considered in the center of the specimens. Ultrasonic pulse velocity was measured according to the defect size until 30 curing days, after which the compressive strength was measured. The ultrasonic pulse velocity of the nano-cementitious composites decreased by up to 9.6% in relation to that of the specimens without defects as the defect size increased, and the compressive strength decreased by up to 35.7%. This study’s findings revealed a correlation between ultrasonic pulse velocity and compressive strength according to defect size. Future ultrasonic non-destructive tests will allow for the prediction of mechanical performance and the detection of defects within nano-cementitious composites. Full article

As it is popular research field, extensive research has been performed in various areas of nanofluids, and most of the studies have demonstrated significant enhancements in their thermophysical properties and thermal transport performance compared to those of conventional thermal fluids. However, there have been unanimous conclusions regarding such enhancements and their underlying mechanisms. Nanofluids’ potential and thermal applications mainly depend on their convective and boiling heat transfer performances, which are also not unbiased in the literature. On top of this, a major challenge with nanofluids is obtaining sustainable stability and persistent properties over a long duration. All these issues are very crucial for nanofluids’ development and applications, and a lot of research in these areas has been conducted in recent years. Thus, this Special Issue, featuring a dozen of high-quality research and reviews on different types of nanofluids and their important topics related to thermophysical and electrical properties as well as convective and boiling heat transfer characteristics, is of great significance for the progress and real-world applications of this new class of fluids. Full article

Conformable, sensitive, long-lasting, external power supplies-free multifunctional electronics are highly desired for personal healthcare monitoring and artificial intelligence. Herein, we report a series of stretchable, skin-like, self-powered tactile and motion sensors based on single-electrode mode triboelectric nanogenerators. The triboelectric sensors were composed of ultraelastic polyacrylamide (PAAm)/(polyvinyl pyrrolidone) PVP/(calcium chloride) CaCl₂ conductive hydrogels and surface-modified silicon rubber thin films. The significant enhancement of electrospun polyvinylidene fluoride (PVDF) nanofiber-modified hierarchically wrinkled micropyramidal architectures for the friction layer was studied. The mechanism of the enhanced output performance of the electrospun PVDF nanofibers and the single-side/double-side wrinkled micropyramidal architectures-based sensors has been discussed in detail. The as-prepared devices exhibited excellent sensitivity of a maximum of 20.1 V/N (or 8.03 V/kPa) as tactile sensors to recognize a wide range of forces from 0.1 N to 30 N at low frequencies. In addition, multiple human motion monitoring was demonstrated, such as knee, finger, wrist, and neck movement and voice recognition. This work shows great potential for skin-like epidermal electronics in long-term medical monitoring and intelligent robot applications. Full article

The hybrid implicit–explicit finite-difference time-domain (HIE-FDTD) method is a weakly conditionally stable finite-difference time-domain (FDTD) method that has attracted much attention in recent years. However due to the dispersion media such as water, soil, plasma, biological tissue, optical materials, etc., the application of the HIE-FDTD method is still relatively limited. Therefore, in this paper, the HIE-FDTD method was extended to solve typical dispersion media by combining the Drude, Debye, and Lorentz models with hybrid implicit–explicit difference techniques. The advantage of the presented method is that it only needs to solve a set of equations, and then different dispersion media including water, soil, plasma, biological tissue, and optical materials can be analyzed. The convolutional perfectly matched layer (CPML) boundary condition was introduced to truncate the computational domain. Numerical examples were used to validate the absorbing performance of the CPML boundary and prove the accuracy and computational efficiency of the dispersion HIE-FDTD method proposed in this paper. The simulated results showed that the dispersion HIE-FDTD method could not only obtain accurate calculation results, but also had a much higher computational efficiency than the finite-difference time-domain (FDTD) method. Full article

As the byproduct in the smelting process of vanadium titano-magnetite, titanium-bearing blast furnace slag (TBFS) can be converted to a titanyl sulfate (TiOSO₄) solution containing MgSO₄ and Al₂(SO₄)₃ impurities via dissociation by concentrated H₂SO₄ (80–95%) at 80–200 °C, followed by leaching with H₂O at 60–85 °C. In this study, hydrated TiO₂ was prepared by hydrothermal hydrolysis of a Mg/Al-bearing TiOSO₄ solution at 120 °C and the hydrolysis law was investigated. The experimental results indicate that MgSO₄ and Al₂(SO₄)₃ accelerated the hydrolysis and significantly affected the particle size (increasing the primary agglomerate size from 40 to 140 nm) and dispersion (reducing the aggregate size from 12.4 to 1.5 μm) of hydrated TiO₂. A thermodynamic equilibrium calculation showed TiOSO₄ existed as TiO²⁺ and SO₄²⁻ in the solution, and MgSO₄ and Al₂(SO₄)₃ led to little change of [TiO²⁺], but an obvious decrease of [H⁺], which favored the hydrolysis process. At the same time, the coordination–dissociation mechanism of SO₄²⁻ and Al(SO₄)₂⁻ facilitated the lap bonding of Ti-O-Ti, promoting the growth of hydrated TiO₂ synergistically. Full article

In recent years, metal–organic gels (MOGs) have attracted much attention due to their hierarchical porous structure, large specific surface area, and good surface modifiability. Compared with MOFs, the synthesis conditions of MOGs are gentler and more stable. At present, MOGs are widely used in the fields of catalysis, adsorption, energy storage, electrochromic devices, sensing, analysis, and detection. In this paper, literature metrology and knowledge graph visualization analysis are adopted to analyze and summarize the literature data in the field of MOGs. The visualization maps of the temporal distribution, spatial distribution, authors and institutions’ distribution, influence of highly cited literature and journals, keyword clustering, and research trends are helpful to clearly grasp the content and development trend of MOG materials research, point out the future research direction for scholars, and promote the practical application of MOGs. At the same time, the paper reviews the research and application progress of MOGs in recent years by combining keyword clustering, time lines, and emergence maps, and looks forward to their challenges, future development trend, and application prospects. Full article