Binding Mechanism and Surface-Enhanced Raman Scattering of the Antimicrobial Sulfathiazole on Gold Nanoparticles.

A combined study using the surface-enhanced Raman scattering (SERS) technique and quantum chemical calculations was carried out to elucidate the adsorption behavior of sulfathiazole, an antibiotic drug, on gold nanoparticles. The tetrahedral Au20 cluster was used as a simple model to mimic a nanostructured gold surface. Computations using density functional theory with the PBE functional were performed in both the gas phase and aqueous medium using a continuum model. The drug is found to bind to the Au metals via the nitrogen of the thiazole ring. The interaction is also partially stabilized by the ring-surface π coupling rather than a sideway adsorption as previously proposed. In an aqueous solution, the drug molecule mainly exists as a deprotonated form, which gives rise to a much greater affinity toward Au nanoparticles as compared to the neutral forms. The drug adsorption further induces a significant alteration on the energy gap of the gold cluster Aun, which could result in an electrical noise. Notable SERS signals below 1600 cm-1, which result from a coupling of several vibrations including the ring breathing, C-C stretching, and N-H bending, could be employed for both qualitative and quantitative detection and assessment of sulfathiazole at trace concentrations.

Tailored synthesis of NdMnxFe1-xO3 perovskite nanoparticles with oxygen-vacancy defects for lithium-ion battery anodes.

In this study, we synthesize nanostructured NdMnxFe1-xO3 perovskites using a facile method to produce materials for the high-working-efficiency anodes of Li-ion batteries. A series of characterization assessments (e.g., X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and electron microscopy) were conducted, and the results confirmed the efficacious partial replacement of Fe ions with Mn ions in the NdFeO3 perovskite structure, occurrence of both amorphous and crystalline structures, presence of oxygen vacancies (VO), and interconnection between nanoparticles. The possibility of Mn ion replacement significantly affects the size, amount of VO, and ratio of amorphous phase in NdMnxFe1-xO3 perovskites. The NdMnxFe1-xO3 perovskite with x = 0.3 presents a notable electrochemical performance, including low charge transfer resistance, durable Coulombic efficiency, first-rate capacity reservation, high pseudo-behavior, and elongated 150-cycle service life, whereas no discernible capacity deterioration is observed. The reversible capacity of the anode after the 150th-cylcle was 713 mAh g-1, which represents a high-capacity value. The outstanding electrochemical efficiency resulted from the optimum presence of VO, interconnection between the nanoparticles, and distinctive properties of the NdFeO3 perovskite. The interconnection between nanoparticles was advantageous for forming a large electrolyte-electrode contact area, improving Li-ion diffusion rates, and enhancing pseudocapacitive effect. The attributes of perovskite crystals, coexistence of Mn and Fe throughout the charge/discharge process, and optimum VO precluded the electrode devastation that caused the Li2O-phase decomposition catalysis, enabling favorable reversible Li storage.

In situ magnesiothermic reduction synthesis of a Ge@C composite for high-performance lithium-ion batterie anodes.

Metallothermic, especially magnesiothermic, solid-state reactions have been widely applied to synthesize various materials. However, further investigations regarding the use of this method for composite syntheses are needed because of the high reactivity of magnesium. Herein, we report an in situ magnesiothermic reduction to synthesize a composite of Ge@C as an anode material for lithium-ion batteries. The obtained electrode delivered a specific capacity of 454.2 mAh·g-1 after 200 cycles at a specific current of 1000 mA·g-1. The stable electrochemical performance and good rate performance of the electrode (432.3 mAh·g-1 at a specific current of 5000 mA·g-1) are attributed to the enhancement in distribution and chemical contact between Ge nanoparticles and the biomass-based carbon matrix. A comparison with other synthesis routes has been conducted to demonstrate the effectiveness of contact formation during in situ synthesis.

Development of Vang Danh anthracite as a cost-effective anode for sodium-ion batteries through a heat-treatment process.

This study focuses on the effects of the chemical process and heating time at 900 °C on pristine anthracite coal (provided by Vang Danh coal, Quang Ninh province, Vietnam) and explores its structure and electrochemical performance when used as an anode in Na-ion batteries. After chemical treatment with NaOH and H2SO4, the impurity content in the raw material decreased significantly (e.g., ash content dropped from 4.4% to 0.9%, etc.). The interspacing between the graphene layers in the anthracite structure also increased after the heat treatment. Besides, on extending the heating time, the anthracite structure became more disordered than the samples heated for shorter times. Therefore, the intercalation ability of Na+ ions in the anthracite structure increased, and the sample heated at 900 °C for 6 hours exhibited the highest reversible capacity of up to 160 mA h g-1 with adequate capacity retention after 100 cycles at C/10 rate.