National Institute Of Materials Physics - Romania

Rare-earth elements are widely used as doping materials as they considerably change the semiconductor optical, electrical, magnetic and radiative properties. This work explores the influence of Gadolinium (Gd) as a dopant on the radiative, optical and magnetic properties of the Zinc Selenide (ZnSe). ZnSe single crystals were grown by the physical transport method and doped during the growth process using a GdSe source. A wide range of characterization equipment was employed to analyze the obtained ZnSe:Gd single crystals. Intracenter radiative transition of the Gd has not been detected. Gd ions activate the background impurities, causing radiative transitions from the conduction band to the Cu2+ level and intracenter transitions within V3+, V2+ and Cr2+ ions. At the same time, the edge band intensity is dependent on the dopant concentration. Optical transmittance decreases, but the position of the fundamental absorption band is unchanged. Single crystals have a zinc blende crystal structure, and Gd ions do not form complexes with native defects or background impurities.

Pristine high-density bulk disks of MgB2 with added hexagonal BN (10 wt.%) were prepared using spark plasma sintering. The BN-added samples are machinable by chipping them into desired geometries. Complex shapes of different sizes can also be obtained by the 3D printing of polylactic acid filaments embedded with MgB2 powder particles (10 wt.%). Our present work aims to assess antimicrobial activity quantified as viable cells (CFU/mL) vs. time of sintered and 3D-printed materials. In vitro antimicrobial tests were performed against the bacterial strains Escherichia coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853, Staphylococcus aureus ATCC 25923, Enterococcus faecium DSM 13590, and Enterococcus faecalis ATCC 29212; and the yeast strain Candida parapsilosis ATCC 22019. The antimicrobial effects were found to depend on the tested samples and microbes, with E. faecium being the most resistant and E. coli the most susceptible.

In the field of research for designing and preparing innovative nanostructured systems, these systems are able to reveal the presence of heavy metals in water samples, and can efficiently and selectively interact with them, allowing for future applications in the field of water remediation. We investigated the electronic and molecular structure, as well as the morphology, of silver nanoparticles stabilized by mixed biocompatible ligands (the amino acid L-cysteine and the organic molecule citrate) in the presence of cadmium and arsenic ions. The molecular, electronic, and local structure at the ligands/silver nanoparticles interface was probed by the complementary synchrotron radiation-induced techniques (SR-XPS, NEXAFS and XAS). The optical absorption (in the UV-Vis range) of the nanosystem was investigated in the presence of Cd(II) and As(III) and the observed behavior suggested a selective interaction with cadmium. In addition, the toxicological profile of the innovative nanosystem was assessed in vitro using a human epithelial cell line HEK293T. We analyzed the viability of the cells treated with silver nanoparticles, as well as the activation of antioxidant response.

Highly conductive carbon-based thin films have been produced by low-energy electron irradiation. Low-energy electron irradiation at a lower density of electrons eliminates the sp(3) hybridization of the carbon atoms by reducing the chemical groups on the surface. Irradiated carbon-based thin films became highly conductive layers that could be used as electrodes for optoelectronic devices. The electrical conductivity sigma reached 3 x 10(4) S/m in the case of samples irradiated at a lower density, with a mean value between 3 x 10(5) S/m and 3.3 x 10(2) S/m for highly crystalline graphite structures. The increasing (002) peak diffraction and decreasing intensity ratio ID/IG in the Raman spectra as well as the decreasing bandgap in photoluminescence measurements demonstrated the reduction of oxygen-induced defects in these thin films.

Basalt fibers were functionalized by ZnO electroless deposition for obtaining a nanostructured interphase for enhancing the interfacial strength with an epoxy resin matrix. The structural, morphological and wetting properties of the pristine basalt fabrics and ZnO-coated basalt fabrics were evaluated. The fabrics were uniformly coated with ZnO nanostructures featuring a wurtzite structure and a twin hexagonal prism morphology. The contact angle measurements revealed that ZnO prisms transformed the hydrophilic basalt fabric into a hydrophobic one (similar to 130 degrees). ZnOs were also grown on the basalt fibers as yarns to evaluate their interfacial adhesion by single fiber pull-out tests. The results emphasize significant improvement in the apparent interfacial shear strength (similar to 42%) with limited degradation of the pristine basalt fiber tensile strength (a reduction of similar to 17%). Therefore, ZnO electroless deposition can be regarded as an effective mute to improve the mechanical performance of basalt/epoxy composites expanding their potential range of applications as structural materials.

The implant-related infection as a consequence of bacterial adherence and biofilm formation remains one of the main causes of implant failure. Grace to recent advances in materials science, their great mechanical properties and their biocompatibility (both in vitro and in vivo), antibacterial coatings have gradually become a primary component of the global strategy for preventing microbial colonization. In the present work, novel antibacterial coatings containing hydroxyapatite nanoparticles doped with two different concentrations of samarium (5SmHAp and 10SmHAp) were obtained on Si substrates using the dip coating method. The morphology and physicochemical properties of these modified surfaces were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). In addition, their antimicrobial effects and biocompatibility were assessed. The results showed a continuous and homogeneous layer, uniformly deposited, with no cracks or impurities. 5SmHAp and 10SmHAp surfaces exhibited significant antibiofilm activity and good biocompatibility without inducing cytotoxic effects in human gingival fibroblasts. All these findings indicate that samarium doped hydroxyapatite coatings could be great candidates for the development of new antimicrobial strategies.

In an attempt to propose new applications for the biomedical field, complexes with mixed ligands {[Cu(bpy)(2)(mu 2OClO3)]ClO4}n (1) and [Cu(phen)(2)(OH2)](ClO4)(2) (2) (bpy: 2,2'-biyridine; phen and 1,10-phenantroline) were evaluated for their antibacterial and cytotoxicicity features and for the elucidation of some of the mechanisms involved. Complex (2) proved to be a very potent antibacterial agent, exhibing MIC and MBEC values 2 to 54 times lower than those obtained for complex (1) against both susceptible or resistant Gram-positive and Gram-negative strains, in planktonic or biofilm growth state. In exchange, complex (1) exhibited selective cytotoxicity against melanoma tumor cells (B16), proving a promising potential for developing novel anticancer drugs. The possible mechanisms of both antimicrobial and antitumor activity of the copper(II) complexes is their DNA intercalative ability coupled with ROS generation. The obtained results recommend the two complexes for further development as multipurpose copper-containing drugs.

Structural and functional changes induced by TiO2 addition to spherical zinc selenide together with lysozyme adsorption lead to valuable bioinorganic catalysts with enhanced activity. Spherical zinc selenide and its composite with TiO2 were obtained by hydrothermal method and subsequently modified by lysozyme adsorption. Morphological, structural and functional characteristics of zinc selenide based materials (ZnSe, TiO2-ZnSe) and their hybrids with lysozyme (Lys/ZnSe, Lys/TiO2-ZnSe) were investigated. TiO2 addition to ZnSe results in significant changes of surface composition, electrochemical behavior and lysozyme retention capacity. The lysozyme modified ZnSe and TiO2-ZnSe surfaces doubles the biocatalysts efficiency for 4-Methylumbelliferyl p-D-N,N',N ''-triacetylchitotrioside hydrolysis reaction compared to free lysozyme.

The effects of severe plastic deformation (SPD) process via high-speed high-pressure torsion technique on martensitic transformation of Ni-Fe-Ga Heusler shape memory alloy are the subject of this work. The results show that moderate degrees of deformation lead to a decrease in the martensitic transformation temperatures, while the heat of reaction is enhanced only for the sample processed with the lowest degree of deformation. The results are explained by the interplay between the constituent tetragonal L10 and the cubic gamma crystal structures and the evolution of the samples morphology with the severity of deformation. The reduction in the samples granulation due to the progressive increase in the SPD is reflected by the magnetic properties of the samples with decreasing coercivity and Curie temperatures. At the highest applied degree of deformation, sample nanostructuring and a possible amorphization might explain the vanishing of MT.

Orthorhombic HfO2 exhibits nanoscale ferroelectricity that opens the perspective of ultra-scalable CMOS integration of ferroelectric memories. However, many aspects of the metastable orthorhombic crystallization mechanisms still need to be elucidated and new fabrication methods are of high interest. In this paper, the atomically resolved crystal structure of HfO2 is a 3-layer structure with a Ge-rich HfO2 intermediate layer capped by a top (cap) HfO2 layer and cladded by a bottom HfO2 layer. There is a continuity of crystal growth from the top and bottom HfO2 layers into the intermediate layer. A spatial transition from a monoclinic phase to an orthorhombic phase was revealed within a region of a few atomic layers at the interface between capped and intermediate HfO2 layers. This result suggests the mechanism of orthorhombic and monoclinic phase formation by a martensitic-like transformation of the initially grown tetragonal phase. The sample fabrication method we used involved magnetron sputtering deposition of the 3-layer structures, i.e. a stack of top HfO2/Ge-rich HfO2 intermediate/bottom HfO2 layers, followed by rapid thermal annealing. It results in self-optimized orthorhombic crystallization of HfO2 by Ge nanoparticle segregation in the intermediate layer. The ferroelectric effects are revealed by polarization-voltage hysteresis loops and piezoresponse force microscopy measurements. The atomistic computations performed by using the density functional theory support the experimental results by showing that the Ge doping of HfO2 leads to orthorhombic phase stabilization and increased Berry phase polarization.