Pure and transition metal (TM)-doped ZnO nanocrystals were synthesized using a wet-chemical process. Synthesis was carried out in distilled water at 85 °C followed by calcining the as-prepared powders at 280 °C and 600 °C. Co, Mn and Fe doping at 4 and 8 mol % was achieved by adding CoCl2.6H2O, MnCl2 .4H2O and FeCl2 .4H2O respectively during the synthesis. Crystal phase characterization was carried out by X-ray powder diffraction (XRD) which confirmed the formation of ZnO in the wurtzite polymorph. The band gap energy of the nanocrystals was measured by both photoluminescence spectroscopy (using the Near Band Edge Emission) and UV-Vis absorption spectroscopy, using a modified version of the Tauc law. Widening of the band gap energy from 3.23 eV to 3.33 eV with increased doping concentration was observed for all the dopants. Ab-initio simulations of doped and undoped ZnO crystals using density functional theory as implemented in the Quantum Espresso package confirmed the increase in the band gap energies with doping concentration.

This work presents a study of the chemical structure, morphology, electromagnetic absorption and electric conductivity of thin films. The electrochemical synthesis of polypyrrole/surfactant (PPy/SDS) films doped with iodine is carried out by glow discharge plasma in aqueous solution, at different reaction times. The morphology shows agglomerations of particles dispersed in the surface. Infrared spectroscopic analysis shows absorption on the wavenumbers 2915,2362 and 2082 cm-1 corresponding to chemical groups C-H, C=O and R/N=C=S, respectively. The electromagnetic absorption had higher response sensitivity between 340 to 800 nm in the visible region, and the electric conductivity of samples oscillated between 5.0x10-6 and 2.0x10-5 S/cm. The thickness films significantly increased when doping with iodine, reaching values up to 50 μm.

Vertical hetero-structures made from stacked monolayers of transition metal dichalcogenides (TMDC) are promising candidates for next-generation optoelectronic and thermoelectric devices. Identification of optimal layered materials for these applications requires the calculation of several physical properties, including electronic band structure and thermal transport coefficients. However, exhaustive screening of the material structure space using ab initio calculations is currently outside the bounds of existing computational resources. Furthermore, the functional form of how the physical properties relate to the structure is unknown, making gradient-based optimization unsuitable. Here, we present a model based on the Bayesian optimization technique to optimize layered TMDC hetero-structures, performing a minimal number of structure calculations. We use the electronic band gap and thermoelectric figure of merit as representative physical properties for optimization. The electronic band structure calculations were performed within the Materials Project framework, while thermoelectric properties were computed with BoltzTraP. With high probability, the Bayesian optimization process is able to discover the optimal hetero-structure after evaluation of only ∼20% of all possible 3-layered structures. In addition, we have used a Gaussian regression model to predict not only the band gap but also the valence band maximum and conduction band minimum energies as a function of the momentum.

A nanomaterial that attracts the attention in a variety of research areas is multiwall carbon nanotubes (MWCNTs), due to their good mechanical proprieties, and high electrical and thermal conductivity. For this reason, the preparation of three-dimensional (3D) structures from them draws interest because it opens new horizons to produce materials with novel properties and useful applications. In this investigation the synthesis of 3D nanotube carbon (nanoforest type) functionalized with nanoparticles of silver, aluminum, and iron was studied. A 3D structure was produced in the form of aligned microchannels. The functionalization of carbon nanotubes with nanoparticles of silver, aluminum or iron during the synthesis process of carbon nanotubes, was carried out through spray-pyrolysis with different synthesis time and solution concentration. The results were characterized through microscopy SEM, TEM and Raman’s spectroscopy.

Herein, we report on the syntheses of ZnO nanoparticles using different precursors Zn(NO3)2•6H2O, Zn(CH3COO)2•2H2O, ZnCl2, and ZnSO4.H2O by a microwave assisted method. The different precursors resulted in different structural, optical and photocatalytic degradation of Rhodamine B dye. The nanoparticles resulted in rod-like and pseudo-spherical morphologies when the ZnO2•6H2O, (Zn(CH3COO)2•2H2O and ZnCl2 precursors were used, with the proportion of the spherical morphology in each photocatalyst varying in the order Zn(NO3)2•6H2O > Zn(CH3COO)2•2H2O > ZnCl2. The ZnSO4.H2O precursor yielded trapezium shaped particles that were agglomerated through oriented attachment. For photocatalytic degradation studies, the fastest degradation was achieved using the SNO3- photocatalyst, which degraded the dye in a period of 120 min, followed by SCH3COO- at 150 min, SCl- at 180 min and SSO42- managing to degrade only 15 % of the dye after 240 min. The difference in the activity was attributed to surface area differences, which followed the order SNO3- > SCH3COO- >SCl- > SSO42-, with the photocatalyst that had the highest surface area showing high degradation rates. The high degradation rate observed for the SNO3- photocatalyst was also attributed to the presence of a large number of spherical particles thereby having a larger proportion of the high energy [0001] and [000-1] faces known to be highly active.

This work presents a study about synthesis of polypyrrole films electrochemically doped with iodine by luminescent discharge plasma in aqueous sodium sulfate solution, and its structural, morphological and electrical characterization. The synthesis is carried out at atmospheric pressure with square pulse from -1.06 to 1.16 V for 120 minutes. Doping times of the films are 10, 30 and 50 minutes. The films have thicknesses of 6, 12.7, 20.32 and 25.4 μm, and linear growth trend according to the time exposure of their synthesis. The main chemical groups exhibited in the films are C-H, N-H and CH2I, which are characteristics of film doped with Iodine. The electrical conductivity calculated of polypyrrole films is in the range 10-5-10-3 S/cm, and its activation energy is between 0.052 and 1.77 eV.

Graphene-based membranes have been investigated as promising candidates for water filtration and gas separation applications. Experimental evidences have shown that graphene oxide can be impermeable to liquids, vapors and gases, while allowing a fast permeation of water molecules. This phenomenon has been attributed to the formation of a network of nano capillaries that allow nearly frictionless water flow while blocking other molecules by steric hindrance effects. It is supposed that water molecules are transported through the percolated two-dimensional channels formed between graphene-based sheets. Although these channels allow fast water permeation in such materials, the flow rates are strongly dependent on how the membranes are fabricated. Also, some fundamental issues regarding the nanoscale mechanisms of water permeation are still not fully understood and their interpretation remains controversial. In this work, we have investigated the dynamics of water permeation through pristine graphene and graphene oxide model membranes that have strong impact on water/alcohol separation. We have carried out fully atomistic classical molecular dynamics simulations of systems composed of multiple layered graphene-based sheets into contact with a pure water reservoir under controlled thermodynamics conditions (e. g., by varying temperature and pressure values). We have systematically analysed how the transport dynamics of the confined nanofluids depend on the interlayer distances and the role of the oxide functional groups. Our results show the water flux is much more effective for graphene than for graphene oxide membranes. These results can be attributed to the H-bonds formation between oxide functional groups and water, which traps the water molecules and precludes ultrafast water transport through the nanochannels.

This work aims to develop simple and cost-effective methods in reduction of Cr(VI) from water to less toxic and easy separated Cr(III) using Titanium dioxide (TiO2).

TiO2 nanoparticles are prepared by a sol-gel method using titanium tetra-chloride and characterized using X-Ray Diffraction (XRD), Scanning electron microscope (SEM), Energy dispersive X-ray Fluorescence spectrometer (EDX) and UV-visible spectroscopy. XRD shows Anatase structure of TiO2 after annealing at 600°C for four hours. The particles size is estimated to be 70 nm using SEM.UV-Visible spectroscopy indicated that TiO2 nanoparticles played important role in decreasing the concentration of Cr (VI) in water samples for different pH range of 1 to 4. The decrease in Cr(VI) concentration after the treatment is ascribed to the reduction caused by the photocatalyst effect that resulted from the presence of TiO2 nanoparticle in water samples under direct exposure to direct sunlight.

The 3D porous carbon-based structures called Schwarzites have been recently a subject of renewed interest due to the possibility of being synthesized in the near future. These structures exhibit negatively curvature topologies with tuneable porous sizes and shapes, which make them natural candidates for applications such as CO2 capture, gas storage and separation. Nevertheless, the adsorption properties of these materials have not been fully investigated. Following this motivation, we have carried out Grand-Canonical Monte Carlo simulations to study the adsorption of small molecules such as CO2, CO, CH4, N2 and H2, in a series of Schwarzites structures. Here, we present our preliminary results on natural gas adsorptive capacity in association with analyses of the guest-host interaction strengths. Our results show that Schwarzites P7par, P8bal and IWPg are the most promising structures with very high CO2 and CH4 adsorption capacity and low saturation pressure (<1bar) at ambient temperature. The P688 is interesting for H2 storage due to its exceptional high H2 adsorption enthalpy value of -19kJ/mol.

The aim of the present research was to evaluate pectin-gelatine and pectin-collagen polymeric compounds as encapsulating and releasing matrices for whey active peptides with antioxidant properties. Active peptides were obtained by hydrolysis of whey proteins with thermolysin and proteinase enzymes from B. subtilis. The hydrolysates were fractioned and encapsulated in the pectin composite matrices to obtain particles loaded with active whey peptides. The composite particles were analysed by SEM and IR techniques. In addition, they were also tested under simulated gastric conditions to evaluate the encapsulation efficiency and delivering power of the composite materials. The results showed that both encapsulation particles were excellent supports, because they retained to-the peptides and maintained their antioxidant activity during the simulated gastric process (120 min). However, the pectin gelatine particles were digested faster than those of pectin-collagen. The peptides from-encapsulated in pectin-gelatine were released within this time, showing an increment in the-antioxidant activity. Peptides from gelatine protein were also released by the gastric enzymes, and thus also they contributed to the antioxidant activity; in addition to the whey peptides.

Humanoid robots, prosthetic limbs and exoskeletons require soft actuators to perform their primary function, which is controlled movement. In this work, we explored whether crosslinked poly[ethylene-co-(vinyl acetate)] (cPEVA) fibers, with different vinyl acetate (VA) content can serve as torsional fiber actuators, exhibiting temperature controlled reversible rotational changes. Broad melting transitions ranging from 50 to 90 °C for cPEVA18-165 or from 40 to 80 °C for cPEVA28-165 fibers in combination with complete crystallization at temperatures around 10 °C make them suitable actuating materials with adjustable actuation temperature ranges between 10 and 70 °C during repetitive cooling and heating. The obtained fibers exhibited a circular cross section with diameters around 0.4±0.1 mm, while a length of 4 cm was employed for the investigation of reversible rotational actuation after programming by twist insertion using 30 complete rotations at a temperature above melting transition. Repetitive heating and cooling between 10 to 60 °C or 70 °C of one-end-tethered programmed fibers revealed reversible rotations and torsional force. During cooling 3±1 complete rotations (Δθr = + 1080±360°) in twisting direction were observed, while 4±1 turns in the opposite direction (Δθr = - 1440±360°) were found during heating. Such torsional fiber actuators, which are capable of approximately one rotation per cm fiber length, can serve as miniaturized rotary motors to provide rotational actuation in futuristic humanoid robots.

This study investigates the adsorption efficiency of goethite nanostructured powder for the simultaneous removal of cobalt and nickel ions. The nanostructured powder sample was synthesized via a chemical precipitation technique and characterized using SEM, FTIR-ATR and XRD techniques. From batch adsorption studies, maximum absorption for Co(II) and Ni(II) ions occurred at an equilibrium contact time of 80 min, with an adsorbent mass of 0.1 g, and at pH=7. Co(II) ions showed greater affinity to the nanoparticles as compared to Ni(II). The maximum quantities adsorbed were recorded as 148.5 mg/g for Co(II) and 110.6 mg/g for Ni(II) ions. The best isotherm model fit for both metal ions was the Freundlich model indicating heterogeneity of the surface binding sites. The pseudo-second order kinetic model was the best-fit model: an indication of a strong chemical adsorption between the adsorbent surface and metal ions. The findings show that the goethite nanostructured powder is a very effective adsorbent material and prominent candidate for the simultaneous removal of cobalt and nickel ions from water.

Nowadays, carbon nanotubes have a lot of applications in daily life, being applied in the fabrication of cellphones, computers, nanotransistors, among many others. Currently, their new applications in biotechnology area are in research, in particular in order to find new biosensors with fluorescent properties applying on the basis of multi-wall carbon nanotubes (MWCNTs). In this work, the obtaining of carbon nanoparticles having fluorescent properties via spray pyrolysis is presented. Synthesis, properties, structural peculiarities, and applications of nanobuds and related nanostructures are discussed. MWCNTs, decorated with strontium aluminate SrAl12O19 and doped with rare-earth elements, were synthetized from distinct organic precursors and the corresponding metal oxides. The metal oxides used were Samarium (Sm), Europium (Eu), Neodymium (Nd), Lanthanum (La), Cerium (Ce) and some their combinations.

The synthesis was carried out on the surface of optical fibres to obtain a uniform growth of forest-like MWCNTs, adding to metal oxide nanoparticles to their surface. The preparation of composites was carried out by spray pyrolysis techniques in dry nitrogen atmosphere in the temperature range from 780 to 850°C. The formed products were characterized by Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), FTIR spectroscopy, Raman spectroscopy and UV/visible spectroscopies. The analysis of the obtained data shows that the deposited nanoparticles are in the range of size 20-60 nm being uniformly distributed on the surface of MWCNTs. The samples, obtained at different temperatures and with doping metal oxides added to SrAl12O19, show different fluorescence behavior. The best results were observed with lanthanum oxide as a dopant. Possible applications as persistently luminescent phosphors for the formed MWCNTs-supported luminescent materials are proposed.

The adult Papilio demoleus Linnaeus comes in different sizes (80-100 mm) and colours. On the basis of structural colour observation, an experimental and theoretical study on the different colours on Papilio demoleus Linnaeus wings was conducted. The wing scales were investigated from a photonic crystal perspective using scanning electron and optical microscopies and reflectance measurements. In the SEM measurements, the parts studied show nanostructured ridges separated by crossribs (grooves). The scales show several tilted cuticle layers lapped on the ridges, which constitute a grating. The widths of the ridges and crossribs (grooves) in the grating are different. Arrangements and shapes of scales are clearly seen under the optical microscopy. It was deduced that the yellow colour with the highest reflectance of 485 nm and 580 nm could be due to multiple interferences from a highly tilted cuticle arrangement. The layer arrangement in the brown and ash scales is not enough to reflect observable interference light. The study shows an application in fine light elements in the photo-electro devices.

Three sizes of beads 1, 2 and 3 mm of chitosan and poly (vinyl alcohol) were generated and crosslinked with ethylene glycol diglycidyl ether. The modification was carried out using a glass reactor, in which the beads were exposed to the glow discharge plasma (GDP). The adsorption experiments were carried out in triplicate at 30 °C, 200 rpm, 72 h at different pH values in the range between 2 and 7. The concentrations of the dye in the supernatants were determined by UV-vis spectrophotometry. The 1 mm beads with and without modification, as well as those adsorbed and without adsorbing were characterized by FTIR and SEM. A higher and constant adsorption capacity was observed using modified beads (814, 857 and 1509 mg/g for the 3, 2 and 1 mm beads, respectively). For unmodified beads the adsorption capacity decreased when the initial pH value was increased. This makes the beads modified by GDP a robust material with respect to pH variation and a good candidate to be used in the removal of synthetic dyes.