Quantum computers are close to become a practical technology. Solid-state implementations based, for example, on superconducting devices strongly rely on the quality of the constituent materials. In this work, we fabricate and characterize superconducting planar resonators in the microwave range, made from aluminum films on silicon substrates. We study two samples, one of which is unprocessed and the other cleaned with a hydrofluoric acid bath and by heating at 880 °C in high vacuum. We verify the efficacy of the cleaning treatment by means of scanning transmission electron microscope imaging of samples’ cross sections. From 3 h-long resonator measurements at ≈ 10 mK and with ≈ 10 photonic excitations, we estimate the frequency flicker noise level using the Allan deviation and find an approximately tenfold noise reduction between the two samples; the cleaned sample shows a flicker noise power coefficient for the fractional frequency of ≈ 0.23 × 10−15. Our preliminary results follow the generalized tunneling model for two-level state defects in amorphous dielectric materials and show that suitable cleaning treatments can help the operation of superconducting quantum computers.

Single-leg (p × n)-type transverse thermoelectrics (TTE) are reviewed as an alternative to conventional or “longitudinal” double-leg thermoelectrics for applications at room temperature and below. As the name suggests, this unique behavior of (p × n)-type transverse thermoelectrics results from choosing ambipolar anisotropic materials that have a Seebeck tensor with orthogonal p- and n-type Seebeck coefficients, leading to transverse relation between net heat and net electrical current. One feature of such materials is that they can operate near intrinsic doping and, therefore will not suffer from dopant freeze-out, opening the possibility of new cryogenic operation for solid state cooling. In this work, a Seebeck tensor analysis of thermoelectric materials is presented. To compare the performance of transverse thermoelectric materials, a transverse power factor PF⊥ is introduced. Materials searches based on these simple criteria reveal that over 1/4 of the database of about 48,000 inorganic materials could potentially function as (p × n)-type TTE’s, demonstrating the underappreciated prevalence of this class of materials.

AISI 316L stainless steel substrates were coated with hydroxyapatite [HAp, Ca10(PO4)6(OH)2]-seeded 58S bioglass, and then their in vitro bioactivity was evaluated by soaking in a simulated body fluid (SBF). The bioglass was prepared via the sol-gel technique and nanometric HAp single crystals were obtained by hydrothermal synthesis. The coatings had bioglass/HAp weight ratios of 100/0, 90/10 or 80/20. The in vitro bioactivity tests were carried out under static conditions at 37 °C and pH = 7.25, for time periods ranging from 1 to 21 days. The results showed that the HAp-seeding significantly accelerates the formation of a HAp layer at the bioglass-coated steel surface during the bioactivity tests.

Metallic Copper nanoparticles (Cu NPs) were obtained via sputtering of Cu target onto liquid polymer, i.e., poly(ethylene glycol), PEG, under vacuum condition. The Cu NPs growth significantly right after the sputtering deposition from 3.1 nm to 4.1 nm in 4 hours as monitored by TEM. There was negligible growth of NPs for longer time and completely PEG acts as the coating material of Cu NPs so no agglomeration was observed for 1 week. The challenge of characterization of Cu NPs was also discussed.

Colloidal gold-palladium (Au-Pd) bimetallic nanoparticles were used as catalysts to study the ethanol (EtOH) photo-oxidation cycle, with an emphasis towards driving carbon-carbon (C-C) bond cleavage at low temperatures. Au-Pd bimetallic alloy and core-shell nanoparticles were prepared to synergistically couple a plasmonic absorber (Au) with a catalytic metal (Pd) with composite optical and catalytic properties tailored towards promoting photocatalytic oxidation. Catalysts utilizing metals that exhibit localized surface plasmon resonance (SPR) can be harnessed for light-driven enhancement for small molecule oxidation via augmented photocarrier generation/separation and photothermal conversion. The coupling of Au to Pd in an alloy or core-shell nanostructure maintains SPR-induced charge separation, mitigates the poisoning effects on Pd, and allows for improved EtOH oxidation. The Au-Pd nanoparticles were coupled to semiconducting titanium dioxide photocatalysts to probe their effects on plasmonically-assisted photocatalytic oxidation of EtOH. Complete oxidation of EtOH to CO2 under solar simulated-light irradiation was confirmed by monitoring the yield of gaseous products. Bimetallics provide a pathway for driving desired photocatalytic and photoelectrochemical reactions with superior catalytic activity and selectivity.

Lung surfactant (LS), a thin layer of phospholipids and proteins inside the alveolus of the lung is the first biological barrier to inhaled nanoparticles (NPs). LS stabilizes and protects the alveolus during its continuous compression and expansion by fine-tuning the surface tension at the air-water interface. Previous modelling studies have reported the biophysical function of LS monolayer and its role, but many open questions regarding the consequences and interactions of airborne nano-sized particles with LS monolayer remain. In spite of gold nanoparticles (AuNPs) having a paramount role in biomedical applications, the understanding of the interactions between bare AuNPs (as pollutants) and LS monolayer components still unresolved. Continuous inhalation of NPs increases the possibility of lung ageing, reducing the normal lung functioning and promoting lung malfunction, and may induce serious lung diseases such as asthma, lung cancer, acute respiratory distress syndrome, and more. Different medical studies have shown that AuNPs can disrupt the routine lung functions of gold miners and promote respiratory diseases. In this work, coarse-grained molecular dynamics simulations are performed to gain an understanding of the interactions between bare AuNPs and LS monolayer components at the nanoscale. Different surface tensions of the monolayer are used to mimic the biological process of breathing (inhalation and exhalation). It is found that the NP affects the structure and packing of the lipids by disordering lipid tails. Overall, the analysed results suggest that bare AuNPs impede the normal biophysical function of the lung, a finding that has beneficial consequences to the potential development of treatments of various respiratory diseases.

Polymeric conjugated materials are convenient for developing future soft-material-based semiconductors, conductors, electronic and optoelectronic devices due to their inherent features. Similar to their inorganic counterparts, the addition of certain minority molecules, or dopants, to polymeric conjugated materials can significantly alter the electronic and optoelectronic properties of the host conjugated polymers or composites. This allows for tunability of a variety of electronic and optoelectronic applications. One way to improve device performance is through the process of thermal annealing. Annealing allows for a polymer matrix to self-assemble into a lower energy state, which leads to an increase in crystallinity and higher charge mobility. Previous research does not explicitly define how dopants can affect this process. This study involves an evaluation of the effects of annealing with doped P3HT films to demonstrate changes in optoelectronic and electronic properties.

AlN etching with chloride plasmas is studied. The experimental results show that the etching of AlN under a low pressure Cl2/Ar plasma mixture in moderate DC bias is not possible. The addition of BCl3 gas to Cl2/Ar mixture allows the etching of AlN materials. However the obtained properties of etched AlN is still not in conformity with the technological specification especially for the condition which the etched AlN must be kept only along the sidewall of the InP laser cavity and be removed elsewhere (selective etching). To know more about the effect of the BCl3 addition to the Cl2/Ar plasma mixture, global model of BCl3/Cl2/Ar is developed to quantify the neutral and ion densities as well as the electron density and temperature. The simulation results show that the electron density and low pressure linearly varies with the RF power. The negative ion density decreases with the percentage of BCl3 leading to the diminution of the electronegativity which is represented by negative ion to electron density ratio. The simulation shows that the positive ion to atomic chlorine flux ratio increases with the %BCl3. Such parameters could play an important role in the ion neutral synergy during the etching process.

According to the UNEP, mercury pollution is one of the main contamination problems of the world. The UN showed that more than 1,870 tons of this metal are released into the environment annually. This material arrives to water bodies where fish consume it and then reaches humans, producing negative effects on their health. The hydroxyapatite is one of the main components of bones and has proven itself to be useful in the removal of mercury from polluted sources. The aim of this research project is to synthesize and characterize different formulations of this substance and to determine which is the best selective formulation to remove mercury in water. Currently, twenty-one formulations have been produced. The experimental variables examined are the pH, the temperature and the time of calcination. These variables are characterized with Infrared Spectrophotometry (IR), Scanning Electron Microscope (SEM) and X-ray diffraction (XRD). Before calcination the samples contained 70% of hydroxyapatite. This concentration increased in some of them after calcination. The analysis of the results allowed to test the efficiency of these formulations at removing mercury from water. These materials will also be combined, in future stages of the research, with other substances such as activated carbon and organic fibers to improve their performance. The material will be used to coat a filter so that it can become a piping accessory to remove mercury from polluted waters as it is being recirculated.

We report on photo-induced magnetic effect and infrared (IR) spectroscopic behavior of colossal magnetorestive manganite La0.7Sr0.3MnO3 (LSMO) with rare earth co-doping (Er3+ and Yb3) at room temperature. X-ray diffraction shows that a structural phase transformation from rhombohedral to hexagonal with increasing Er and Yb concentrations. Photo-induced magnetoresistance showed that Er3+ and Yb+3 ions have significant influence on the magnetic and electrical ordering of LSMO under the influence of UV light. The optical excitation also shows an enhancement in the magnetotransport properties of LSMO.

Brookite titanium dioxide is investigated from first principles as possible insertion-type cathode material for Li, Na and Mg. Recently structural similarity of this phase and amorphous titanium dioxide was reported. Low-concentration insertion energies and the corresponding voltages, however, suggest poor electrochemical performance of brookite in comparison to e.g. layered titania phases such as B-TiO2. We argue that this behavior could be explained by local electronic structure leading to higher voltages in amorphous compounds, since the lattice strains induced by intercalation in brookite are not sufficient to explain the poor binding energies with the investigated metals.

The stability of the Ti50Pd50-xRux alloy was investigated using first-principles density functional theory within the plane-wave pseudopotential method. Firstly, the Ti50Pd50 gave equilibrium lattice parameter and lowest heats of formation in better agreement with experimental data to within 3%. The heat of formation decreases with an increase in Ru concentration, consistent with the trend of the density of states which is lowered at the Fermi level as Ru content is increased which suggests stability. It was also found that from the calculated elastic constants the structures showed positive shear modulus above 20 at. % Ru, condition of stability. Furthermore, the addition of Ru was found to strengthen the Ti50Pd50-xRux system at higher concentrations. The thermal coefficients of linear expansion for the Ti50Pd31.25Ru18. 75 are higher at low temperature, and that the TiPd-Ru system tends to expand more at low content of 18.75 at. % Ru than at higher content. Partial substitution of Pd with Ru was found more effective as a strengthening element and may enhance the martensitic transformation temperature of the Ti50Pd50 alloy.

Thin films of Cu2ZnSnS4 have been synthesized through solution chemistry. The correlation between film morphology and the ratio of cations (copper, zinc and tin) and the amount of monoethanolamine (MEA) in solution has been investigated. The stoichiometric ratio of cations resulted in films comprised of fine grains (∼165 nm) with large crystals (∼ 1 − 2μm) spread over its surface. The films corresponding to copper poor and zinc rich solutions were comprised of grains having uniform size (∼300 nm). The addition of MEA to precursor solutions resulted in a significant drop of pinholes in the films, however, at the same time grain size decreases to 50 − 200 nm range depending on the amount of MEA present in the precursor solution.

Molecular dynamics simulations were utilized to determine the oxygen anion diffusivity in pure ceria (CeO2) and doped ceria MxCe1-xO2-0.5x (M=Gd, Sm and Pr) with varying level of dopant concentration from 5-30% (x = 0.05-0.3). Doping with Gd showed an improvement in oxygen anion diffusivity value by two order of magnitude (D = 4.67x10-8 cm2/s at 1173 K) as compared to the undoped ceria (D = 1.33x10-10 cm2/s at 1173 K). 10% of doping level was estimated as the optimum concentration of all the dopants at which all of the doped ceria materials showed maximum diffusivity of oxygen anion. Among the three dopants studied, Pr was observed to show maximum diffusivity of oxygen anion in the temperature range of 773-1173 K of simulations.

The accident at the Fukushima Dai-ichi Nuclear Power Plant occurred following the Great East Japan Earthquake on March 11, 2011, and led to the release of volatile radionuclides, which were deposited on the environment in the Fukushima prefecture and the neighbouring areas. After the short-lived I-131, radiocaesium such as Cs-134 and Cs-137 have controlled radiation dose rate. The authors derived the apparent diffusion coefficients (Da) of some radionuclides such as Cs-134 and Cs-137 based on time variation of the depth distributions of respective radionuclides in soil obtained in field investigations in earlier studies. Almost all Da-values were of order 10-14 (m2·s−1) and well consistent with distribution coefficients (Kd) obtained from batch experiments. Whilst, field investigations for the relaxation mass depths of Cs-137 in soil by a scraper plate method were conducted at totally 85 locations over a period of nearly 6 years from December 2011 in the Fukushima prefecture and the neighbouring prefectures, and time variation of the effective relaxation mass depths was recently reported. Consequently, the effective relaxation mass depths of Cs-137 showed a tendency to linearly increase with increasing time. This indicates that radiocaesium gradually moves to the deeper part of soil with time. In this study, Da based on Fick’s diffusion equation was derived based on time variation of the effective relaxation mass depths of Cs-137 in soil. In order to calculate the Da based on Fick’s law, correlation between relaxation depth and square root of elapsed time was derived from the correlation between effective relaxation mass depth and elapsed time (where, relaxation depth is defined as the depth of 1/e of radionuclide concentration at the ground surface and can calculate by relaxation mass depth/soil density). The calculated Da of Cs-137 was of order 10-12 (m2·s−1) , which was about 2 orders of magnitude higher than Da-values that the authors previously reported as described above. Considering that almost all relaxation depths of Cs-137 were shallow within 2cm in depth from the ground surface and near the surface layer of soil is unsaturated, it is considered that Da estimated in this analysis includes the effect of dispersion by advection (by flow in the vertical direction of rainwater).

In this work, the synthesis of starch-clay nanocomposites was carried out. For this purpose, natural starch was extracted from rice grains and it was characterized by structural and spectrophotometric techniques. Afterwards, it was used as the polymer matrix for the synthesis of nanocomposites crosslinked with different agents: glycerol, citric acid (CA) and sodium trimetaphosphate (STMP). As a reinforcement phase, a natural Mexican clay from the Montmorillonite-type (Mt), was employed, which was modified with a cationic surfactant, hexadecyltrimethylammonium bromide (HDTMA-Br), in order to exchange cations, present in the interlaminar spaces of the raw clay mineral with those of the cationic surfactant; thus, changing its nature from hydrophilic to hydrophobic. Characterization, of both natural and organo-modified clays, was carried out by means of scanning electron microscopy (SEM), to determine the change in morphology between these two minerals; X-ray diffraction analysis (XRD), to obtain the crystalline structure of the organo-modified clay and that of the raw clay mineral (Mt). Also, the Fourier transform infrared spectroscopy (FTIR) was employed to determine materials spectra, and their thermal stability was evaluated by means of the thermogravimetric analysis (TGA). On the other hand, the synthesis of these nanocomposites was performed using different crosslinking agents, glycerol, CA or STMP, in order to identify the effect of them into the final properties of these materials.

Different nanostructures such as: CuOH nanorods, CuO nanosheets and Cu2O nanograins were obtained by anodization approach at room temperature during times from 10 to 40 minutes. By scanning electron microscopy technique, it was found that Cu2O nanograins were formed at 10 minutes, CuO nanosheets vertically oriented on nanograins were observed at 20 and 30 minutes, and from 20 minutes CuOH nanorods with low vertical orientation on nanosheets were formed, coexisting the three types of nanostructures at the same system. In samples without thermal treatment were observed that Raman spectra of nanograins have a typical signal at 218 cm-1 associated to Cu2O, Raman spectra of nanosheets have signals at 287 and 630 cm-1 associated to CuO and Raman spectra of nanorods, it was observed that Raman spectrum is dominated by an intense signal associated to CuOH located around 488cm-1. In addition, after 3 hours of thermal treatment at 300 °C, the morphology was conserved, and the hydrogen-related compound decreased. Raman spectra of nanorods only presented a signal at 287 cm-1 associated to CuO whereas in nanosheets three peaks at 150, 218, 304 cm-1 associated to the Cu2O were observed.

Polydopamine (PDA) is a biopolymer, which can form uniform thin films on almost all solid substrates as well as at the liquid/air interface. Carbonized polydopamine possesses graphite-like structure and exhibits high electrical conductivity, which makes it a potential carbon-based thin film conductor. However, studies on mechanical behavior of PDA and its derived materials are very limited. In this study, PDA samples were synthesized through self-assembly of dopamine in aqueous solution. Elastic modulus of thin films was measured using the nanoindentation technique. It is shown that the Young’s modulus of PDA thin film increased with increasing heat treatment temperature (up to 600°C). Doping with Cu ions also increased the Young’s modulus of PDA. Furthermore, all PDA thin films, with and without Cu, exhibited creep behavior.

Silicon nanowires (SiNWs) show unique optoelectronic properties such as band gap, radiative and nonradiative relaxations. In this research, the optoelectronic properties of <211> SiNW are calculated by combining time-dependent density matrix methodology. Description of photo-excited dynamics processes is enabled by computing “on–the–fly” nonadiabatic couplings (NAC) between electronic and nuclear degrees of freedom using density functional theory (DFT). The dynamics of electronic degrees of freedom is propagated by the reduced density matrix with Redfield equation of motion. Oscillator strengths are used to compute radiative relaxation and to generate time resolved photoluminescence (PL) spectrum. Analysis of the simulated nonradiative decay shows that high-energy photoexcitation relaxes to the band gap edge on the order of 1 ps. We also simulate time-resolved emission spectra of the <211> SiNW that reveals optical emissions above the optical band gap. These emission features are attributed to the interband transitions. The results of this study can be useful for the material choice for optoelectronic applications.