RESUMO
Hollow spherical structures of ternary bismuth molybdenum oxide doped with samarium (Bi2-xSmxMoO6) were successfully synthesized via development of a Pluronic P123 (PEO20-PPO70-PEO20)-assisted solvothermal technique. Density functional theory calculations have been performed to improve our understanding of the effects of Sm doping on the electronic band structure, density of states, and band gap of the material. The calculations for 0 ≤ x ≤ 0.3 revealed a considerably flattened conduction band minimum near the Γ point, suggesting that the material can be considered to possess a quasi-direct band gap. In contrast, for x = 0.5, the conduction band minimum is deflected toward the U point, making it a distinctly indirect band gap material. The effects of a hollow structure as well as Sm substitution on the absorbance and fluorescence properties of the materials produced increased emission intensities at low Sm concentrations (x = 0.1 and 0.3), with x = 0.1 displaying a peak photoluminescence intensity 13.2 times higher than for the undoped bulk sample. Subsequent increases in the Sm concentration resulted in quenching of the emission intensity, indicative of the onset of a quasi-direct-to-indirect electronic band transition. These results indicate that both mesoscale structuring and Sm doping will be promising routes for tuning optoelectronic properties for future applications such as catalysis and photocatalysis.
RESUMO
Hierarchical superstructures formed by self-assembled nanoparticles exhibit interesting electrochemical properties that can potentially be exploited in Li-ion batteries (LIBs) as possible electrode materials. In this work, we tested two different morphologies of CuS superstructures for electrodes, namely, tubular dandelion-like and ball-like assemblies, both of which are composed of similar small covellite nanoparticles. These two CuS morphologies are characterized by their markedly different electrochemical performances, suggesting that their complex structures/morphologies influence the electrochemical properties. At 1.12â A g(-1), the cells made with CuS tubular structures delivered about 420â mAh g(-1), and at 0.56â A g(-1), the capacity was as high as about 500â mAh g(-1) with good capacity retention. Their ease of preparation and processing, together with good electrochemical performance, make CuS tubular dandelion-like clusters attractive for developing low-cost LIBs based on conversion reactions.
RESUMO
BACKGROUND: Photo-neutrons are produced at the head of the medical linear accelerators (linac) by the interaction of high-energy photons, and patients receive a whole-body-absorbed dose from these neutrons. The current study aimed to find an efficient shielding material for fast neutrons. METHODS: Nanoparticles (NPs) of Fe3O4 and B4C were applied in a matrix of silicone resin to design a proper shield against fast neutrons produced by the 18 MeV photon beam of a Varian 2100 C/D linac. Neutron macroscopic cross-sections for three types of samples were calculated by the Monte Carlo (MC) method and experimentally measured for neutrons of an Am-Be source. The designed shields in different concentrations were tested by MCNPX MC code, and the proper concentration was chosen for the experimental test. A shield was designed with two layers, including nano-iron oxide and a layer of nano-boron carbide for eliminating fast neutrons. RESULTS: MC simulation results with uncertainty less than 1% showed that for discrete energies and 50% nanomaterial concentration, the macroscopic cross-sections for iron oxide and boron carbide at the energy of 1 MeV were 0.36 cm- 1 and 0.32 cm- 1, respectively. For 30% nanomaterial concentration, the calculated macroscopic cross-sections for iron oxide and boron carbide shields for Am-Be spectrum equaled 0.12 cm- 1 and 0.15 cm- 1, respectively, while they are 0.15 cm- 1 and 0.18 cm- 1 for the linac spectrum. In the experiment with the Am-Be spectrum, the macroscopic cross-sections for 30% nanomaterial concentration were 0.17 ± 0.01 cm- 1 for iron oxide and 0.21 ± 0.02 cm- 1 for boron carbide. The measured transmission factors for 30% nanomaterial concentration with the Am-Be spectrum were 0.71 ± 0.01, 0.66 ± 0.02, and 0.62 ± 0.01 for the iron oxide, boron carbide, and double-layer shields, respectively. In addition, these values were 0.74, 0.69, and 0.67, respectively, for MC simulation for the linac spectrum at the same concentration and thickness of 2 cm. CONCLUSION: Results achieved from MC simulation and experimental tests were in a satisfactory agreement. The difference between MC and measurements was in the range of 10%. Our results demonstrated that the designed double-layer shield has a superior macroscopic cross-section compared with two single-layer nanoshields and more efficiently eliminates fast photo-neutrons.