RESUMO
A π-conjugated polymer (PBQT) containing bis-(2-ethylhexyloxy)-benzo [1,2-b'] bithiophene (BDT) units alternated with a quinoline-vinylene trimer was obtained by the Stille reaction. The chemical structure of the polymer was verified by nuclear magnetic resonance (1H NMR), Fourier transform infrared (FT-IR), and mass spectroscopy (MALDI-TOF). The intrinsic photophysical properties of the solution were evaluated by absorption and (static and dynamic) fluorescence. The polymer PBQT exhibits photochromism with a change in absorption from blue (449 nm) to burgundy (545 nm) and a change in fluorescence emission from green (513 nm) to orange (605 nm) due to conformational photoisomerization from the trans to the cis isomer, which was supported by theoretical calculations DFT and TD-DFT. This optical response can be used in optical sensors, security elements, or optical switches. Furthermore, the polymer forms spin-coated films with absorption properties that cover the entire visible range, with a maximum near the solar emission maximum. The frontier molecular orbitals, HOMO and LUMO, were calculated by cyclic voltammetry, and values of -5.29 eV and -3.69, respectively, and a bandgap of 1.6 eV were obtained, making this material a semiconductor with a good energetic match. These properties could suggest its use in photovoltaic applications.
RESUMO
Environmental pollution today is a latent risk for humanity, here the need to recycle waste of all kinds. This work is related to the kinetic study of the leaching of gold and copper contained in waste electrical and electronic equipment (WEEE) and silver contained in mining wastes (MW), using the O2-thiosemicarbazide system. The results obtained show that this non-toxic leaching system is adequate for the leaching of said metals. Reaction orders were found ranging from 0 (Cu), 0.93 (Ag), and 2.01 (Au) for the effect of the reagent concentration and maximum recoveries of 77.7% (Cu), 95.8% (Au), and 60% (Ag) were obtained. Likewise, the activation energies found show that the leaching of WEEE is controlled by diffusion (Cu Ea = 9.06 and Au Ea = 18.25 kJ/Kmol), while the leaching of MW (Ea = 45.55 kJ/Kmol) is controlled by the chemical reaction. For the case of stirring rate, it was found a low effect and only particles from WEEE and MW must be suspended in solution to proceed with the leaching. The pH has effect only at values above 8, and finally, for the case of MW, the O2 partial pressure has a market effect, going the Ag leaching from 33% at 0.2 atm up to 60% at a 1 atm.
RESUMO
In this work we have studied infinite size silicon-germanium alloy nanotubes of several types, armchair, zigzag and chiral, by theoretical analysis based on density functional theory as implemented in the SIESTA code, which utilizes a linear combination of atomic orbitals and a generalized gradient approximation proposed by Perdew, Burke and Ernzerhof (GGA-PBE) for the exchange and correlation energy. The structures were relaxed until the atomic forces were less than 0.0001 eV Å-1. The electronic band structure, density of states and cohesive energy were then computed; the optical calculation was run in between 0 and 6 eV, with a broadening of 0.05 eV. The obtained results exhibit the deformation of the structure on the surface, which seems to be related to its stability. The armchair and zigzag tubes are direct band gap semiconductor materials, while chiral nanotubes shift from indirect to direct bandgap semiconductors, depending on their diameter size. Likewise, the bandgap depends on the diameter of the SiGe nanotubes (SiGeNTs). We have associated the absorption curves and the density of states through Van Hove singularities. In summary, our results on the structural and electronic properties of SiGeNTs elucidate their possible applications in thermoelectrics, photovoltaics and nanoelectronics, while the possibility of associating the absorption curves with the density of states provides a method of characterization.
RESUMO
In this work, we report the synthesis of Cu, Pt and Pd doped SnO2 powders and a comparative study of their CO gas sensing performance. Dopants were incorporated into SnO2 nanostructures using chemical and impregnation methods by using urea and ammonia as precipitation agents. The synthesized samples were characterized using X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM) and high resolution transmission electron microscopy (HR-TEM). The presence of dopants within the SnO2 nanostructures was evidenced from the HR-TEM results. Powders doped utilizing chemical methods with urea as precipitation agent presented higher sensing responses compared to the other forms, which is due to the formation of uniform and homogeneous particles resulting from the temperature-assisted synthesis. The particle sizes of doped SnO2 nanostructures were in the range of 40-100 nm. An enhanced sensing response around 1783 was achieved with Cu-doped SnO2 when compared with two other dopants i.e., Pt (1200) and Pd:SnO2 (502). The high sensing response of Cu:SnO2 is due to formation of CuO and its excellent association and dissociation with adsorbed atmospheric oxygen in the presence of CO at the sensor operation temperature, which results in high conductance. Cu:SnO2 may thus be an alternative and cost effective sensor for industrial applications.