The microscopic properties and Raman spectra of molten, LiAlF, NaAlF, and KAlF systems were investigated using first-principles molecular dynamics combined with the Voronoi tessellation method. The results have indicated that Li, Na, and K exist in a free state, whereas Al and F form ion clusters ([AlF]) with evidence of free F anions. The nature of the alkali metal cation does not significantly affect the average Al-F bond length (1.
View Article and Find Full Text PDFThis study employs first-principles molecular dynamics (FPMD) simulations combined with the Voronoi tessellation method to explore the microstructure, transport properties, electronic properties, and Raman spectra of the NaF-AlF-CaF/LiF/KF systems with varying cryolite ratios, additive types, and concentrations. The results indicate that Na, Ca, Li, and K exist in a free state in the molten salts, while Al forms complex ion groups in the form of [AlF] with F, and free F also exists in the molten salts. In the NaF-AlF-CaF system, the average Al-F distance is slightly shorter than that in the other two systems, while the Al-F coordination number is higher in NaF-AlF-LiF.
View Article and Find Full Text PDFSemiconductor ion fuel cells (SIFCs) have demonstrated impressive ionic conductivity and efficient power generation at temperatures below 600 °C. However, the lack of understanding of the ionic conduction mechanisms associated with composite electrolytes has impeded the advancement of SIFCs toward lower operating temperatures. In this study, a CeO/β″-AlO heterostructure electrolyte is introduced, incorporating β″-AlO and leveraging the local electric field (LEF) as well as the manipulation of the melting point temperature of carbonate/hydroxide (C/H) by Na and Mg from β″-AlO.
View Article and Find Full Text PDFFront Microbiol
December 2021
Emerging viral infections continuously pose a threat to human wellbeing. Several RNA viruses have managed to establish access to the male reproductive tract and persist in human semen. The sexual transmission of the virus is of critical public concern.
View Article and Find Full Text PDFIntroduction: MicroRNAs (miRNAs) are important regulators of many biological functions, including embryo implantation and development. Recently, it has been reported that miRNAs in biofluids are predictive for physiological and pathological processes.
Objectives: In this study, we aim to investigate whether the miRNAs secreted by human embryos in culture medium can be used as embryonic biomarkers.
To identify the circRNAs expression pattern and roles in bisphenol A (BPA) induced germ cell apoptosis. We performed circRNA/miRNA/mRNA-Seq in 120 μM BPA treated and nontreated GC-2 cells. Bioinformatic analysis, qPCR, apoptosis assays, luciferase report were done in the function analysis.
View Article and Find Full Text PDFNanoscale gaps in noble metal films can produce intense electromagnetic enhancement. When Raman-active molecules are positioned in these regions, their surface-enhanced Raman scattering (SERS) signals can be dramatically enhanced. However, the lack of convenient and reliable fabrication methods with ultrasmall nanogaps (<10 nm) severely block the application of SERS.
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