Publications

The CuFeTaTiW multicomponent alloy has been devised as an interlayer thermal barrier in nuclear fusion re-actors. In order to predict the phase constitution of this alloy, two different lines of work were performed: (a) simulation using Molecular dynamics and Monte Carlo and (b) study of the influence of mechanical alloying parameters on the structures formed. The simulation results show that the most stable structure is achieved starting from a bcc type-structure and using Monte Carlo simulation. In fact, in these conditions the separation into two bcc phases Fe-Ta-W and Cu-Ti is predicted at room temperature. However, the experimental preparation of the materials with mechanical alloying revealed that from 2 h of milling a single bcc phase is formed. The structure of the milled powder was not much influenced by the amount of the process control agent and the by the size of the W starting particles, but generally there was formation of Ta2H from the reaction between the powders and the process control agent.

Preparation under non-identical conditions involving the reduction of sol-gel-derived precursors of various Zn:Fe atomic ratios (0.97:0.03, 0.8:0.2 and 0.4:0.6) in a hydrogen-containing atmosphere was used to obtain composites of nanosized ferromagnetic (FM) alpha-Fe and antiferromagnetic (AFM) FeO in different concentrations and of the desired magnetic responses. ZnO nanoparticles, developed in all preparation stages, served primarily as a matrix for the separation of Fe (and FeO) nanoparticles, preventing their agglomeration and coarsening. The average crystallite/particle size is about 5-32 nm, 10-75 nm and 21-31 nm for FeO, Fe and ZnO, respectively. Magnetisation investigations of FeO-Fe-ZnO nanocomposites revealed a coexistence of ferromagnetic and superparamagnetic behaviours ascribed to the Fe nanoparticles in different magnetic states. All samples exhibit the exchange bias effect, EB. Values up to 375 Oe for coercivity at 300 K, 600 Oe for coercivity, 223 for coercivity enhancement and 243 Oe for EB field at 5 K were measured. The magnitude of EB depends on the processing conditions - the EB field and coercivity enhancement are larger for samples processed under conditions of a higher degree of non-equilibrium. The presence of FeO appears crucial for the occurrence of EB, irrespective of its quantity. The EB is ascribed primarily to the exchange coupling between the AFM and FM spins at the FeO/Fe interfaces of nanostructures after field-cooling from above the TN of FeO and below the Curie temperature of Fe. An approach based on magnetically disordered AFM/FM interfaces featuring like spin-glass systems was adopted to explain the EB effects. An aspect of practical relevance is the suppression of room temperature coercivity in apparent correlation with the training of the EB; an attempt has been made to understand the origin of this suppression.

The corrosion protection property of three Brij-type surfactants, namely, Brij 35, Brij 56 and Brij 58P, was considered on OLC 45 carbon steel in a 0.5 M H2SO4 medium. The efficacy for these organic compounds was examined using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) methods, scanning electron microscopy (SEM) procedures, and Fourier transform infrared (FT-IR) spectroscopy. We hypothesized that these surfactants hinder the corrosion for OLC 45 samples through a protecting mechanism owing to the adsorption of organic molecules that form an inhibitive film or through the formation of complex oxides. These surfactants exhibited an appreciable protective effect against OLC 45 corrosion, operating as mixed inhibitors, as could be demonstrated by their influence on the electrochemical characteristics of the metallic substrates. The adsorption of surfactants over the substrates zone conformed to the representation of the Langmuir isotherm. The effect of temperature on the electrochemical comportment of the OLC 45 specimens in H2SO4 without and with Brij at 800 ppm was examined in the temperature interval of 293 to 333 K. The negative estimate of thermodynamic attributed as Gibbs free energy of adsorption presented the spontaneity of the adsorption activity. The investigation with FT-IR and SEM established the adsorption of Brij and the constitution of the corrosive components on the OLC 45 surface. Electrochemical determinations of these surfactants indicated its anticorrosion inhibition performance and the highest inhibition of 96% was reached when the Brij 35 concentration was at 800 or 1000 ppm, while for Brij 56 and Brij 58P, the highest inhibition was obtained when their concentrations were 500, 800, or 1000 ppm.

Novel biocompatible composite hydrogels with good elastic and antimicrobial properties have been fabricated by e-beam cross-linking using chitosan and water-soluble polymers mixed with commercial silver nanoparticles (AgNP). Hydrogels having different formulations were characterized by rheological, swelling, FTIR, SEM, and biodegradation measurements. The network structure, biocompatibility, and antimicrobial properties were evaluated as well. The composite hydrogels showed higher stability and absorb large amounts of fluids specific to an infected wound without losing structural integrity. The rheological, SEM, and network structure results demonstrate that at above 0.1 mg/mL AgNP, hydrogels with high cross-linking density are obtained. The in vitro response of fibroblasts proved the high biocompatibility of the hydrogel's composites. The antimicrobial activity is directly influenced by the amount of AgNP and cross-linking degree of the hydrogel. Significant antimicrobial activity was recorded against Gram-negative bacteria, while for the Gram-positive ones, the growth inhibition seems to require a decrease of the cross-linking degree.

This work investigates the conduction mechanism of hydrothermally grown Gd2O3-sensitive material in order to explain its electrical resistance behaviour when exposed to increasing concentrations of CO2 under in-field conditions. To achieve this, the experimental investigation began with X-ray photoelectron spectroscopy of the Gd2O3 microstructure to verify the oxidation states of the surface. Subsequently, the impact of constant atmospheric factors such as oxygen and relative humidity on the electrical resistance of the Gd2O3 layer was examined. Finally, a progressive dosing of CO2 concentrations ranging from 400 to 3000 ppm was conducted. The DC electrical resistance measurements were performed using a computer-controlled Gas Mixing System operated under a dynamic gas flow regime. Experimental data was validated using the Boltzmann distribution statistics and the grain-to-grain Schottky barrier model. The results highlight the preservation of the n-type semiconductor behaviour of Gd2O3 irrespective of the background relative humidity and bring the oxidising character of CO2 to the fore.

In the present work, single phase CoSb3 skutterudite nanomaterials were prepared via a ball milling method, and their thermoelectric characteristics were compared with the samples synthesized by the solvo-hydrothermal method. Thermoelectric transport properties were recorded in the temperature regime of 300-830 K. Both samples exhibit p-type conduction behavior with a positive sign of Seebeck coefficient. CoSb3 ball mill sample exhibit higher resistivity of 127 x 10(-5)Omega.m at 300 K as compared to CoSb3 solvo-hydrothermal sample with 4.85 x 10(-5)Omega.m. However, CoSb3 ball mill sample show enhanced Seebeck coefficient of 183 mu V/K at 473 K where CoSb3 solvo-hydrothermal sample depict 98 mu V/K at 650 K. Furthermore, the total thermal conductivity of sintered CoSb3 ball mill and CoSb3 solvo-hydrothermal samples was found to be 3.02 Wm(-1)K(-1) and 3.23 W m(-1)K(-1) at room temperature and reaches a significantly lower value of 2.47 W m(-1)K(-1) and 2.46 W m(-1)K(-1) at 580 and 670 K, respectively. The dimensionless figure of merit ZT values of CoSb3 ball mill and CoSb3 solvo-hydrothermal obtained are 0.053 and 0.060 at 650 and 700 K, respectively. A systematic tuning of processing parameters by ball milling method can lead to better thermoelectric efficiency.

In the quest for advanced materials suitable for next-generation electronic and optoelectronic applications, tungsten disulfide (WS2) ultrathin films have emerged as promising candidates due to their unique properties. However, obtaining WS2 directly on the desired substrate, eliminating the need for transfer, which produces additional defects, poses many challenges. This paper aims to explore the synthesis of WS2 ultrathin films via physical vapor deposition (PVD) followed by sulfurization in a confined space, addressing the challenge of film formation for practical applications. Precursor layers of tungsten and WS2 were deposited by RF magnetron sputtering. Subsequent sulfurization treatments were conducted in a small, closed, graphite box to produce WS2 films. The physical and chemical properties of these precursor and sulfurized layers were thoroughly characterized using techniques such as X-ray reflectometry (XRR), X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS). The findings reveal notable distinctions in film thickness, structural orientation, and chemical composition, attributable to the different precursor used. Particularly, the sulfurized layers from the tungsten precursor exhibited a preferred orientation of WS2 crystallites with their (00L) planes parallel to the substrate surface, along with a deviation from parallelism in a small angular range. This study highlights the necessity of precise control over deposition and sulfurization parameters to tailor the properties of WS2 films for specific technological applications.

The thermodynamic and kinetic simulations based on the re-assessment of the thermodynamic and kinetic database of the Ni-Ti-Cu system were employed to predict the phenomena of mechanical alloying, spark plasma sintering and thermal properties of the intriguing Ni-Ti-Cu system. Thermodynamic calculations are presented for the stable and unstable phases of NiTiCu materials and support a correlation with the evolving microstructure during the technological process. Also, the thermal conductivity, the thermal diffusivity and the specific heat of spark plasma sintered and aged Cu-alloyed NiTi-based shape memory alloys (NiTiCu) with two compositions, Ni45Ti50Cu5 and Ni40Ti50Cu10, are evaluated and the influence of mechanical alloying and precipitates on thermal properties is discussed. Measurements of these thermal properties were carried out from 25 degrees C up to 175 degrees C using the laser flash method, as well as differential scanning calorimetry. The thermal hysteresis of the 20 mm diameter samples was between 8.8 and 24.5 degrees C. The observed T0 temperatures from DSC experimental transformation features are in reasonable accordance with the thermodynamic predictions. The determined k values are between 20.04 and 26.87 W/m K and in agreement with the literature results. Moreover, this paper can provide some suggestions for the preparation of NiTiCu shape memory alloys and their applications.

Pseudohexagonal Nb2O5 microcolumns spanning a size range of 50 to 610 nm were synthesized utilizing a cost-effective hydrothermal process (maintained at 180 degrees C for 30 min), followed by a subsequent calcination step at 500 degrees C for 3 h. Raman spectroscopy analysis unveiled three distinct reflection peaks at 220.04 cm(-1), 602.01 cm(-1), and 735.3 cm(-1), indicative of the pseudohexagonal crystal lattice of Nb2O5. The HRTEM characterization confirmed the inter-lattice distance of 1.8 & Aring; for the 110 plain and 3.17 & Aring; for the 100 plain. The conductometry sensors were fabricated by drop-casting a dispersion of Nb2O5 microcolumns, in ethanol, on Pt electrodes. The fabricated sensors exhibited excellent selectivity in detecting C2H5OH (Delta G/G = 2.51 for 10 ppm C2H5OH) when compared to a variety of tested gases, including CO, CO2, NO2, H-2, H2S, and C3H6O. The optimal operating temperature for this selective detection was determined to be 500 degrees C in a dry air environment. Moreover, the sensors demonstrated exceptional repeatability over the course of three testing cycles and displayed strong humidity resistance, even when exposed to 90% relative humidity. This excellent humidity resistance gas sensing property can be attributed to their nanoporous nature and elevated operating temperature.

Selective growth of 2D MoS2 layers on patterned substrates is highly desired for easy fabrication of devices. Selectively grown 2D MoS2 on Mo patterned substrates for the formation of intimate metallic contact was obtained by a Mo-CVD method in which MoO2 from an oxidized Mo pattern and S powder are the growth precursors. Mo films were deposited by magnetron sputtering on SiO2(300 nm)/c-Si substrates and patterned by photolithography techniques for obtaining Mo strips and finger contact structures, with the gap between the strips and finger varied from 5 to 20 mu m. The filling of the gap by selectively grown atomically thin MoS2 plates of 1-2 monolayers (MLs) was demonstrated by scanning electron microscopy and atomic force microscopy imaging. Field effect devices for the characterization of the photosensitivity of selectively grown MoS2 have been fabricated from finger contact structures. The dark current is drastically reduced from 10(-9) to 10(-13)-10(-14) A by varying the gate voltage from +7 to -7 V, showing the n-type semiconductor behavior of the selectively grown 2D MoS2. High photosensitivity of 10(5) (%) was obtained for 4.5 x 10(-4) mW/cm(2) at 650 nm wavelength illumination. The spectral responsivity reaches values of 15-25 A/W at 600 nm wavelength and shows an energy onset of 1.72-1.77 eV corresponding to about 2 ML MoS2. The carrier-trapping effect responsible for the slow part of the device response can be caused by structural defects and also by adsorbed molecules like in gas sensors.