National Institute Of Materials Physics - Romania

The purpose of the work is the synthesis and characterization of TiO2 nanoparticles. These were obtained by two different methods, precipitation and sol-gel, starting from titanium(IV) isopropoxide and calcining at 500 degrees C for 2 h. The compositional, structural, morphological and optical properties of the resulting powders were investigated by energy dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectroscopy, scanning electron microscopy, reflectance spectroscopy and photoluminescence spectroscopy. The thermally treated samples contain TiO2 as single phase with tetragonal structure, known as anatase. SEM analysis showed quasi-spherical particles with a diameter of few nanometres for the calcined samples, while the optical studies revealed band gap values of 3.04 and 3.17 eV, as a function of the preparation route.

A numerical algorithm for interface analysis of wicking drops was developed. The code identifies the interface points and subsequently calculates the diameter, volume and contact angle of the drop. As the code can work with multiple frames, it can evaluate the evolution in time of these parameters and calculate the spreading velocity and the flow rate. The performance of the code was tested with solutions of poly(ethylene oxide) of 0.5% and 5% (w/v) concentration. The mean execution time was 0.5 seconds per frame. Therefore, the code can greatly improve the analysis of fluids wicking in porous media, where numerous frames are involved.

In this study, we evaluate the feasibility of using quantum neural networks for classifying gravitational waveforms, using both simulators and quantum computers. The analysis is quite interdisciplinary in its nature, combining knowledge involving astrophysics, quantum information as well as quantum and classical machine learning. We showed that the quantum classifiers and hybrid classical-quantum layers give highly accurate results when tested on a simple dataset and ran on a simulator; also, adding a quantum layer to poorly performing classical neural network can highly improve its accuracy. When running on a real quantum computer, error minimizing algorithms need to be implemented in order to obtain a satisfying accuracy.

In the present work, stannite Cu2CoSnS4 (CCTS) films were elaborated using spray pyrolysis method on soda-lime glass, at different deposition temperatures (T-d = 250, 300, and 350 degrees C), followed by different chosen sulfurization temperatures (T-s = 450, 500, and 550 degrees C). X-ray diffraction (XRD) revealed the nearly single-phase formation of CCTS films at 300 degrees C deposition temperature. After sulfurization in argon flow, the XRD lines become narrower, the average crystallite size expanding above 70 nm. The Raman spectroscopy analysis confirmed the stannite structure formation, as well as the presence CoS2 secondary phases, which reduces at higher sulfurization temperature (550 degrees C). The energy dispersive spectroscopy results indicated atomic ratios of Cu/Co/Sn/S close to the ideal stoichiometric ratio 2:1:1:4. The room temperature photoluminescence emission is recorded with maximum in the 1.35-1.40 eV range. Thermoelectric properties are measured up to 130 degrees C, the films show poor power factor as a result of small positive Seebeck coefficients 10-45 Of K -1 and low electrical conductivity despite of having relatively high carrier concentration (similar to 10(20) cm(-3)).

In this work, new information concerning the optical properties of black phosphorus (BP) sheets chemically/electrochemically functionalized with diphenyl amine (DPA) and its macromolecular compound (poly(diphenylamine) (PDPA)) in the absence/presence of phosphotungstic acid (PTA) is reported. Raman scattering and FTIR spectroscopy studies indicate that the interaction of BP with PTA leads to the elimination of the PxOy layer onto the surface of the BP sheets. In the case of the chemical interaction of BP with DPA, the reaction product corresponds to DPA chemically functionalized BP sheets having an imino-phosphorane (IP) structure. The electrochemical oxidation of BP sheets chemically functionalized with DPA in the presence of PTA leads to an increase in the weight of P-N bonds as a consequence of the generation of PDPA doped with the PTA heteropolyanions, as shown by FTIR spectroscopy and Raman scattering. This process is evidenced by a shift of the Raman line from 362 cm(-1) to 378 cm(-1), assigned to the A(1g) mode. This change was explained by taking into account the compression of the layers containing P atoms, which is induced by PDPA macromolecular chains. The decrease in the intensity of the PL spectra of DPA as well as PDPA, in the presence of BP, indicates that BP acts as a PL quenching agent for these compounds. A preferential orientation of the PDPA doped with the PTA heteropolyanions on the surface of BP sheets is highlighted by the variation of the binding angle of the PDPA on the surface of BP sheets from 44.7 degrees to 39.9 degrees.

In this paper, new results on the degradation of losartan potassium (LP, (1)), in the absence and presence of excipients, which was induced by UV light, the acid character of phosphate buffer solution (PBS) and alkaline medium, respectively, are reported through correlated studies of FTIR spectroscopy, photoluminescence and dielectric spectroscopy. The photoluminescence (PL) spectra of LP and the drug marked under the name Lorista (LO) are characterized by intense emission bands, peaking at 378 nm and 380 nm, respectively, accompanied by low intensity bands with a maximum at similar to 450-460 nm. Photodegradation of LO in a solid state is evidenced by a decrease in the intensity of the PL band at 380 nm, a variation that originates both in the adsorption of water vapors from the air and in the interaction of LP with excipients such as cornstarch, silicon dioxide and cellulose. The LP-water interaction is described, taking into account the main electrical parameters, i.e., complex dielectric permittivity and electrical conductivity. Photodegradation of LP and LO also induces an increase in the intensity of the emission band, at similar to 450-460 nm. The influence of acid and alkaline medium on the LO degradation is analyzed using phosphate buffer (PBS) and NaOH solutions, respectively. In both cases, a decrease in the intensity of the PL band, at 380 nm, is reported. The intensity diminution of the PL spectra of NaOH-reacted LP and LO is the result of the formation of the photodegradation product N-methanolamide-{[2\'-(1H-tetrazol-5-yl)(1,1\'-biphenyl)-4-yl]methyl} (2). This compound was proven by the studies of FTIR spectroscopy achieved on LP and NaOH-reacted LP. The appearance of the IR band at 1740 cm(-1) and the increase in the absorbance in the IR band at 1423 cm(-1) indicate that the photodegradation product (2) contains the C=O and C-OH functional groups.

Understanding the phonon anharmonicity and temperature-dependent behavior of phonons that affect the thermal transport properties in 2D materials is crucial for developing efficient thermoelectric and memristor devices. SnSe has attracted significant interest because of its potential applications for developing such novel devices. Here, orthorhombic SnSe nanoflakes with a thickness of less than 100 nm and oriented along the [100] crystal axis were obtained using physical vapor transport at atmospheric pressure. Polarization-resolved Raman spectroscopy of SnSe nanoflakes was performed at a temperature of 5 K. Temperature-dependent frequencies and linewidths of Raman modes in tin selenide were fitted according to the anharmonic phonon coupling theory. The results indicate that both two and three order processes are responsible for the phonon decay in tin selenide. The memristive property was confirmed by electrical measurements of SnSe devices. SnSe memristors have an operating current of 10-4 A, similar to other transition-metal dichalcogenide memristors, but are more energy efficient than memristors based on defect migration, with a threshold voltage of 3 V.

A CuCrFeTiV high entropy alloy was prepared and irradiated with swift heavy ions in order to check its adequacy for use as a thermal barrier in future nuclear fusion reactors. The alloy was prepared from the elemental powders by ball milling, followed by consolidation by spark plasma sintering at 1178 K and 65 MPa. The samples were then irradiated at room temperature with 300 keV Ar+ ions with fluences in the 3 x 1015 to 3 x 1018 Ar+/cm2 range to mimic neutron-induced damage accumulation during a duty cycle of a fusion reactor. Structural changes were investigated by X-ray diffraction, and scanning electron microscopy and scanning transmission electron microscopy, both coupled with X-ray energy dispersive spectroscopy. Surface irradiation damage was detected for high fluences (3 x 1018 Ar+/cm2) with formation of blisters of up to 1 mu m in diameter. Cross-sectional scanning transmission electron microscopy showed the presence of intergranular cavities only in the sample irradiated with 3 x 1018 Ar+/cm2, while all irradiation experiments produced intragranular nanometric-sized bubbles with increased density for higher Ar+ fluence. The Williamson-Hall method revealed a decrease in the average crystallite size and an increase in residual strain with increasing fluence, consistent with the formation of Ar+ bubbles at the irradiated surface.

Novel (1-x) SrFe12O19 - x BNT-BT0.08 (x = 0; 0.5; 0.8; 1) nanocomposites were explored in this study. The samples were produced by sol-gel method and compacted by conventional sintering. The composition, morphology, local structure, dielectric and magnetic properties were investigated by X-ray diffraction, Transmission Electron Microscopy, Impedance Analysis, Mossbauer spectroscopy, and SQUID magnetometry. The desired composition and the presence of the magnetoplumbite SrFe12O19 and perovskite BNT-BT structures were verified by X-ray diffraction. Irregular morphology and large size distributions are evidenced in the electron microscopy micrographs. The reported room temperature dielectric constants in this study are the highest values obtained in multiferroic composites at room temperature: giant dielectric constants (similar to 1.3 x 10(6)) were obtained, relative to 0.13 x 10(4) in BNT-BT. The hyperfine parameters allowed the identification of the Wyckoff positions of the Fe ions corresponding closely to the theoretical case. The hard magnetic character of the SrFe12O19 phase is evidenced from the magnetic measurements. For the first time in multifermic composites, superdielectric characteristics are evidenced at room temperature.

The paper aims to identify the CO2 interaction mechanism for chemical sensors based on Gd-doped SnO2, SnO2 and Gd2O3 powders deposited as thick sensitive layers. The low reactivity of CO2 conferred by the thermodynamic stability and chemical inertia can be offset by the presence of relative humidity. The sensitive powders were prepared by wet chemical co-precipitation method. The Gd concentration was varied from 1% to 20 at% in order to determine the limit for Gd integration as a doping ion prior to chemical segregation as a secondary phase. Analytical transmission electron microscopy points to a homogeneous Gd doping of the nanostructured SnO2 powders for low doping concentrations and the formation of a nanocomposite based on SnO2 as main phase and cubic Gd2O3 as secondary phase for the highly doped samples. The electrical resistance is either influenced by the density of oxygen vacancies, or is the result of compensation for two opposite behaviours into the SnO2- Gd2O3 nanocomposite structures. The CO2 exposure to humid atmosphere determines distinct behaviours cor-responding to SnO2 and Gd2O3 as constitutive elements. The associated CO2 interaction mechanism is based on simultaneous DC electrical resistance and Contact Potential Difference measurements, which allow decoupling the ionosorption from the dipolar processes, thus highlighting specific chemical interactions on the SnO2 and Gd2O3 surfaces.