查看更多>>摘要：The present paper evaluates pristine C4B32 borospherene and borospherenes functionalized with amino acid in drug delivery performance through density functional theory (DFT). Pristine and alanine-modified C4B32 clusters were found to have high drug delivery performance by designing borospherenes through the quadruple carbon atom doping of C4B32. The present work primarily sought to measure the interaction of borospherenes (both pristine and alanine-modified variants) and the favipiravir drug (FP). It was found that amino acid enabled a biodrug delivery function and improved the absorption of FP onto C4B32. Ultraviolet-visible (UV-Vis) spectroscopy was carried out, revealing a redshift in the drug@cluster electronic spectra toward higher wavelengths. The alanine-modified borospherene was found to have excellent drug delivery performance.
de Simone, MonicaHoffmann, Soren VronningAitken, R. AlanPalmer, Michael H....
5页
查看更多>>摘要：A new synchrotron-based photoionization spectrum of 6,6-dimethylfulvene shows significant vibrational fine structure (VFS), in contrast to previous studies; this was successfully analysed by Franck-Condon (FC) methods. The sequence of ionic states in the range 7 to 19 eV has been determined by both symmetry adapted cluster configuration interaction and density functional methods, especially using the long-range corrected version of the Becke three-parameter hybrid functional (B3LYP) using the Coulomb-attenuating method (CAM-B3LYP). Both lead to reliable theoretical values for both the calculated vertical and adiabatic ionization energies. The FC profile for the lowest ionization energy (IE1, X(2)A(2)) shows extensive VFS which is analysed successfully. The second IE (A(2)B(1)) shows truncated structure owing to overlap with IE1.
查看更多>>摘要：The ZMF@S10 composite that was synthesized by using spent Zn-Mn batteries and abandon SCR catalyst as the starting materials for magnetic photocatalysts with high photocatalytic activity is successfully prepared in this study. The results showed that the core TiO2 crystal structure will transform from anatase to rutile, which was then covered in the ZMF. The efficient photocatalytic performance of the composites under visible light is due to the inhibition of the recombination rate of photogenerated dots and holes on the surface of ZMF by the presence of rutile TiO2. Besides, all composites show good stability, regeneration performance, and easy recycling.
查看更多>>摘要：Gas-phase overtone bands of methyl acetate and ethyl acetate were detected for up to v = 6-0 by incoherent broad-band cavity-enhanced absorption spectroscopy. The signal-to-noise ratios of v = 4-0 were achieved to be 40-50 by the 100 s integration time, suggesting an application possibility of this spectroscopic technique for environmental monitoring. Profiles of the observed overtone bands were analyzed in detail with the aid of theoretical calculations and their remarkable peaks were assigned to the progressions starting from the sym-metric CH-stretching bands. The harmonic frequencies, the anharmonicities, and the dissociation energies were derived.
查看更多>>摘要：Rare earth elements have seen a rise in demand in recent years due to their distinctive properties and diverse applications. Rare earth-based nanomaterials can be synthesized using techniques such as hydrothermal, solvothermal, electrode position, and atomic layer deposition methods. REMOSs nanoparticles have found use in trace gas sensors, batteries, magnetic storage devices, photovoltaic cells, catalysts, energy conversion, engineering, medicines, food, agriculture, cosmetics, textiles, and antennas. This review elaborates the various synthetic pathways, applications and future prospects of rare earth metal oxides.
查看更多>>摘要：A novel ternary SnO2-Nb-C composite, which consists of SnO2 nanoparticles and a fraction of Niobium (Nb) embedded in flake carbon, is synthesized by hydrothermal and ball milling method. To be used as an anode material for lithium-ion batteries (LIBs), the SnO2-Nb-C composite is smoothly doped with n-type elements owing to the various valences of Nb, which enhances the electronic conductivity of the electrode, and effectively inhibits volume changes in SnO2 during the cycle process, thus improving the electrode's electrochemical performance. Therefore, at 0.2 A g-1, the capacity is 956 mAh g-1 after 100 cycles, and the rate capacity is 1130.2 mAh g-1. Furthermore, at 1.0 A g-1, the specific discharge capacity is 1077.0 mAh g-1 after 500 cycles. According to the characterization results, the SnO2-Nb-C nanocomposite can be regarded as a potential anode material for LIBs.
Gajendiran, J.Gnanam, S.Senthil, V. P.Ramya, J. Ramana...
7页
查看更多>>摘要：Undoped SnS, and Nd and Gd-doped SnS nanostructures were fabricated by hydrothermal approach. The XRD study for the Gd-doped SnS powder proved the formation of an orthrhombic crystal structure. The SEM study reveals the particles' surface altered by introducing the Nd and Gd element into the SnS materials. Undoped and doped SnS materials have ferromagnetic characters detected, along with the distinct coercive force and intense magnetization revealed by VSM study. Significantly reduced band gap values have been observed for doped SnS in the optical absorption spectra. The antibacterial activity of prepared materials was tested, and the results have been discussed in detail.
查看更多>>摘要：The migration time scales of different ions in methylammonium lead iodide perovskite devices are identified by a facile photovoltage-buildup technique. The cation-related slow migration is found to be the primary factor that determines the hysteresis, given a great match between the migration dynamics and the scanning rate of pho-toelectric measurements. The steric hindrance effects can significantly tune the ion migration dynamics. Intro-ducing a large cation (formamidinium) or a little amount of small anion (bromide) will slow down or accelerate the cation migration, respectively. The proposed modification method should be an ideal strategy for suppressing the hysteresis phenomenon in perovskite solar cells.
NSTL
Elsevier