Optimization of lithium-sulfur batteries highly depends on exploring and characterizing new cathode materials. Sulfur/carbon copolymers have recently attracted much attention as an alternative class of cathodes to replace crystalline sulfur. In particular, poly(sulfur-n-1,3-diisopropenylbenzene) (S/DIB) has been under considerable experimental and theoretical investigations, promising a good performance in mitigating the so-called shuttle effect. Here, combining ab initio Raman spectroscopy simulations with experimental measurements, we show that S/DIB copolymers containing short and long sulfur chains are distinguishable based on their Raman activity in 400-500 cm-1. This frequency range corresponds to S-S stretching vibrations and is only observed in the Raman spectra of those copolymers with longer sulfur chains. The results reported in this study have direct applications in identification and characterization of general sulfur/carbon copolymers with different sulfur contents.

Over recent years, carbon quantum dots (CQDs) have advanced significantly and gained substantial attention for their numerous benefits. These benefits include their simple preparation, cost-effectiveness, small size, biocompatibility, bright luminescence, and low cytotoxicity. As a result, they hold great potential for various fields, including bioimaging. A fascinating aspect of synthesizing CQDs is that it can be accomplished by using biomass waste as the precursor. Furthermore, the synthesis approach allows for control over the physicochemical characteristics. This paper unequivocally examines the production of CQDs from biomass waste and their indispensable application in bioimaging. The synthesis process involves a simple one-pot hydrothermal method that utilizes biomass waste as a carbon source, eliminating the need for expensive and toxic reagents. The resulting CQDs exhibit tunable fluorescence and excellent biocompatibility, making them suitable for bioimaging applications. The successful application of biomass-derived CQDs has been demonstrated through biological evaluation studies in various cell lines, including HeLa, Cardiomyocyte, and iPS, as well as in medaka fish eggs and larvae. Using biomass waste as a precursor for CQDs synthesis provides an environmentally friendly and sustainable alternative to traditional methods. The resulting CQDs have potential applications in various fields, including bioimaging.

This study examines the stability and protonation properties of four potential azahomocubanes. Through high-level ab initio computations, we find that 9-azahomocubane is the most stable isomer, closely followed by 5-azahomocubane, 1-azahomocubane, and 2-azahomocubane. However, understanding the stability of the systems with a nitrogen atom incorporated into a highly constrained polycyclic environment extends beyond mere bond angles or hybridization considerations. Strain energy analysis reveals that azahomocubanes experience less strain compared to their carbon congeners. An exploration of multiple solvents shows that their impact on relative energies and geometries is negligible. On the other hand, among the four isomers, 2-azahomocubane exhibits the highest tendency for protonation. Basicity, as assessed through the minimum electrostatic potential, correlates well with protonation affinities.

In this work, a metal-organic framework@covalent organic framework composite (TPN-COF@Fe-MIL-100) was prepared and used as a sensing material to construct an aptasensor for trace detection of tetracycline (TET). The TPN-COF@Fe-MIL-100 integrates a large surface area, porous structure, excellent electrochemical activity, rich chemical functionality, and strong bioaffinity for aptamers, providing abundant active sites to effectively anchor aptamer strands. As a result, the TPN-COF@Fe-MIL-100-based aptasensor shows high sensitivity for detecting TET via specific recognition between aptamer and TET to form G-quadruplex. An ultralow detection limit of 1.227 fg mL-1 is deduced from the electrochemical impedance spectroscopy within a wide linear range of 0.01-10000 pg mL-1 for TET. The TPN-COF@Fe-MIL-100-based aptasensor also exhibits good selectivity, reproducibility, stability, regenerability, and applicability for a real milk sample. Therefore, the TPN-COF@Fe-MIL-100-based aptasensor will be promising for detecting trace harmful antibiotics residues for food safety.

The mechanism of perovskite film growth is critical for the final morphology and, thus, the performance of the perovskite solar cell. The nano-roughness of compact TiO2 (c-TiO2) fabricated via the spray pyrolysis method had a significant effect on the perovskite grain size and perovskite solar cell performance in this work. While spray pyrolysis is a low-cost and straightforward deposition technique suitable for large-scale application, it is influenced by a number of parameters, including (i) alcoholic solvent precursor, (ii) spray temperature, and (iii) annealing temperature. Among alcoholic solvents, 2-propanol and 1-butanol showed a smooth surface without any large TiO2 particles on the surface compared to EtOH. The lowest roughness of the c-TiO2 layer was obtained at 450 °C with an average perovskite grain size of around 300 nm. Increased annealing temperature has a positive effect on the roughness of TiO2. The highest efficiency of the solar cell was achieved by using 1-butanol as the solvent. The decrease in the nano roughness of c-TiO2 promoted larger perovskite grain sizes via a relative decrease in the nucleation rate. Therefore, controlling the spray pyrolysis technique used to deposit the c-TiO2 layer is a promising route to control the surface nanoroughness of c-TiO2, which results in an increase in the MAPbI3 grain size.

La0.67Ca0.2Ba0.13Fe1-xTixO3 samples (x = 0 and 0.03) were synthesized by the auto-combustion method. Analysis of XRD diffractograms revealed that these compounds crystallize in the cubic system with the space group Pm3̄m. The dielectric properties have been studied in the 102-106 frequency range and the 120-280 K temperature range. Analysis of AC conductivity shows that the conduction mechanisms are of polaronic origin and that they are co-dominated by the NSPT and OLPT models. The monotonic increase in conductivity with increasing temperature results from the reduction of defect centers and the increase in charge carrier mobility. Such variation is consistent with impedance variation at different frequencies and temperatures indicating semiconductor behavior. Nyquist diagrams are characterized by the appearance of semi-circular arcs. These spectra are modeled in terms of equivalent electrical circuits confirming the contribution of grains (Rg//CPEg) and grain boundaries (Rgb//CPEgb). The dielectric analysis showed an evolution of the dielectric constant in accordance with Koop's theory and the phenomenological model of Maxwell-Wagner. The low conductivity and the high values of the real permittivity at low frequency make our compounds potential candidates for energy storage and applications for electronic devices and microwaves.

Two kinds of magnetic-responsive solid acid catalysts were designed and prepared via an in situ polymerization of poly(ionic liquid)s (PILs) on the surface of Fe3O4@SiO2 NPs for the catalyzed esterification of palmitic acid and methanol. They were characterized using XRD, TGA, VSM, NMR spectroscopy, FTIR spectroscopy, XPS, SEM, and GC techniques. The results confirmed the preparation of solid acid catalysts. Meanwhile, they possessed excellent catalytic activity and recyclability. The effect of the reaction conditions on the esterification was investigated through single-factor analyses, and the proposed catalytic mechanism of the prepared solid acid catalysts in the esterification are also discussed. Under the optimal reaction conditions (10 wt% catalyst, 6 h, 70 °C, and molar ratio (MR) of methanol to palmitic acid of 12 : 1), the conversion rate of palmitic acid could reach 94% and 79% with Fe3O4@SiO2-poly(1-vinyl-3-ethylimidazolium phosphotungstate) (Fe3O4@SiO2-P([VLIM]PW)) and Fe3O4@SiO2-poly(1-vinylimidazole-3-propyl sulfonate) (Fe3O4@SiO2-P([VLIM]SO3)) NPs serving as catalysts, respectively. Furthermore, the Fe3O4@SiO2-P([VLIM]PW) NPs could still maintain a high catalytic activity even after being reused 5 times without significant deactivation.

A rapid and environmentally friendly synthesis of thermodynamically stable silica nanoparticles (SiO2-NPs) from heating via microwave irradiation (MW) compared to conductive heating is presented, as well as their evaluations in a soy plant culture. The parameters of time and microwave power were evaluated for the optimization of the heating program. Characterization of the produced nanomaterials was obtained from the dynamic light scattering (DLS) and zeta potential analyses, and the morphology of the SiO2-NPs was obtained by transmission electron microcopy (TEM) images. From the proposed synthesis, stable, monodisperse, and amorphous SiO2-NPs were obtained. Average sizes reported by DLS and TEM techniques were equal to 11.6 nm and 13.8 nm, respectively. The water-stable suspension of SiO2-NPs shows a zeta potential of -31.80 mV, and the homogeneously spheroidal morphology observed by TEM corroborates with the low polydispersity values (0.300). Additionally, the TEM with fast Fourier transform (FFT), demonstrates the amorphous characteristic of the nanoparticles. The MW-based synthesis is 30 times faster, utilizes 4-fold less reagents, and is ca. 18-fold cheaper than conventional synthesis through conductive heating. After the synthesis, the SiO2-NPs were added to the soil used for the cultivation of soybeans, and the homeostasis for Cu, Ni, and Zn was evaluated through the determination of their total contents by inductively coupled plasma mass spectrometry (ICP-MS) in soy leaves and also through bioimages obtained using laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). Although the results corroborate through both techniques, they also show the influence of these nanoparticles on the elemental distribution of the leaf surface with altered homeostasis of such elements from both transgenic crops compared to the control group.

The thermal conductivity of graphene is in the range of 3000-5000 W m-1 K-1, showing great potential in high thermal conductivity devices. However, the thermal conductivity of graphene-reinforced polymer is typically lower than 10 W m-1 K-1, which is far from theoretical expectations. To understand the mechanisms of heat transfer in graphene-reinforced polymers, this work investigated the effect of graphene addition on the thermal conductive performance of polyetheretherketone (PEEK) matrix. The study examined the number of layers, deflection angles, and interlayer distances using molecular dynamics (MD) simulations. The results showed that the improvement of thermal conductivity of PEEK nanocomposite was not only related to the content of graphene but also to the angle between the benzene ring in the molecular chain of PEEK and the transfer direction of heat flow. Increasing the number of graphene layers is more beneficial to the enhancement of thermal conductivity. In particular, the enhancement of thermal conductivity is most significant when the number of graphene layers is the same, and the interlayer distance is less than the truncation radius.

The influence of different electric fields on the electronic structure and optical properties of β-Ga2O3 was studied by GGA+U method. The results show that appropriate electric field intensity can regulate the band gap of β-Ga2O3 more effectively to improve the photoelectric characteristics. The band gap value of intrinsic β-Ga2O3 is 4.865 eV, and decreases from 4.732 to 2.757 eV with the increase of electric field intensity from 0.05 to 0.20 eV Å-1. The length of the O-Ga bond along the electric field increases the fastest with the electric field intensity, and the distance between O and Ga reaches 2.52 Å when the electric field intensity is 0.20 eV Å-1. A new peak appears in the real and imaginary parts of the dielectric function for β-Ga2O3 in the low frequency region under the electric field, and the conductivity increases obviously. The optical absorption peaks induced by the electric field were observed in the wavelength range of 400-600 nm. The optical absorption of β-Ga2O3 is enhanced with an increase of electric field intensity, exhibiting a maximum value with the electric field of 0.15 eV Å-1. The electric field above 0.15 eV Å-1 causes a decrease of optical absorption intensity.