National Institute Of Materials Physics - Romania

We theoretically investigate the spectral and quantum transport properties of two-dimensional heterostructures build up of different topological materials. Surprising behavior arises due to particular tuning of the edge states, provided by internal symmetries or an external magnetic field, in the different constituents of the heterostructure. Specifically, we use the Chern-type topological insulator and the Weyl semimetals with one or two interfaces interposed between these systems. The energy spectrum may contain gaps which exhibit edge states of alternating chirality or, on the contrary, of a given chirality everywhere in the spectrum. Then, the calculation predicts that the quantum Hall effect may lack the negative plateaus or show asymmetric plateaus in the lower and upper part of the spectrum. Also, the channel distribution on the finite size system with interfaces and attached leads may give rise to fractional values of the quantum Hall resistance. The calculations are based on a diatomic lattice model, with hopping to the nearest-and next-nearest-neighbors, exposed to an internal periodic flux (of Haldane-type), and also to an external magnetic field.

In this study, stannite, Cu2FeSnS4 (CFTS), absorber films were obtained by electrodeposition on Molybdenum-coated soda-lime substrates, followed by sulfurization treatment at certain temperatures in the 400-550 ? range. The purposes of this work were to control the manufacturing of CFTS films with good stoichiometry, high crystallinity and to study the annealing temperature impact on CFTS films properties. The X-ray diffraction and the Raman spectroscopy measurement distinguished the CFTS phase formation, with a presence of SnS2 secondary phase. The energy dispersive spectroscopy results reveal compositional differences between samples as well as the in-depth gradients. The photoluminescence emission band around 1.35-1.40 eV is slightly below the direct bandgap inferred from the conventional spectroscopy (diffuse reflectance). X-ray photoelectron spectroscopy results indicate clearly a high amount of Sn on the surface. The Conversion Electron Mossbauer unveiled the presence of Fe in the chalcogenide unit cell. The electrochemical characteristics of the synthesized films are also given.& nbsp;(C) 2022 Elsevier B.V. All rights reserved.

A novel and disposable biosensor based on superoxide dismutase (SOD) immobilized on gold metallized polycaprolactone electrospun polymeric fibers (PCl/Au) has been developed for the determination of superoxide (O-2(center dot-)) in cell culture media. SOD biosensors were constructed employing three immobilization methods: crosslinking with EDC/NHS at a cysteine self-assembled monolayer (PCl/Au/SODCYS), biopolymer encapsulation with chitosan (PCl/Au/SODCHI) and cross-linking with glutaraldehyde (PCl/Au/SODGA). Scanning electron microscopy was performed at the three different biosensors to evaluate their surface morphologies. Biosensors were employed for the electrochemical detection of superoxide by fixed potential amperometry at different applied potentials, with two distinct enzymatic mechanisms being proposed: i) the reduction of the enzymatically generated peroxide, at -0.3 V, for which the PCl/Au/SODCHI biosensor presented the highest value of sensitivity of 40.1 mu A mM(-1) cm(-2), and ii) the regeneration of the enzyme catalytic copper centre, at +0.3 V, for which the PCl/Au/SODCYS biosensor had the highest sensitivity value of 16.1 mu A mM(-1) cm(-2). The proposed recognition mechanisms were further confirmed by cyclic voltammetric measurements, which enabled also to determine the amount of immobilized electroactive SOD, with highest value corresponding to the PCl/Au/SODCYS biosensor. The biosensors with best analytical performance, PCl/Au/SODCYS and PCl/Au/SODCHI, were further investigated for stability and selectivity, with best results for the PCl/Au/SODCYS, chosen for superoxide monitoring in cell culture media. The study is promising for future application of PCl/Au/SODCYS for the on-line superoxide monitoring of superoxide in cell cultures, grown directly on the biosensor itself.

A recent theory of band ferromagnetism in 3d metals predicts 're-entrant' ferromagnetism at temperatures far above the boiling point of these metals in normal conditions (Teodorescu, C.M., 2021. Spin asymmetry originating from densities of states: Criterion for ferromagnetism, structures and magnetic properties of 3d metals from crystal field based DOSs. Results in Physics 25, 104,241). Metals, and in particular iron rich alloys, are still solid at such extremal temperatures in the Earth's inner solid core. It follows that this piece of the Earth may become ferromagnetic. This hypothesis is investigated in this work in more details, by using densities of states derived by ab initio density functional theory calculations for hexagonal close-packed iron and applying the basic theory of band ferromagnetism derived in the above Reference. The temperature for 're-entrant' ferromagnetism increases with the pressure, ranging between about 6530 and 6640 K for pressures between 330 and 360 GPa; these temperatures are in the range of most estimates for the temperature of the inner solid core of our planet. The dimension of the ferromagnetic "innermost inner core" (IMIC) derived from the estimated Fe magnetic moment are within the dimensions of a IMIC with different anisotropy in the propagation of seismic waves. For body centered cubic Fe no 're-entrant' ferromagnetism is predicted based on the actual model. It follows that the Earth's inner solid core with hexagonal close-packed structure is the main responsible for the geomagnetic field, and also most probably the reversal of this field proceeds by simple rotation of the magnetization of this core, while keeping a non-vanishing magnetic field during the reversal. This might prevent the Earth's surface bombardment with energetic charged particles during the reversals, with beneficial effects for complex lifeforms and for mankind civilization.

Li-ion batteries, widely used in portable electronics, electric vehicles, and energy storage systems, are an integral element of our daily life. However, the limitation of lithium sources, which leads to high prices, prompts the search for alternatives. Recently there has been noticed a rapid interest in Na-ion batteries technology. Especially, suitable cathode structures are investigated to accumulate larger sodium ions. In this paper, the high entropy layered oxide NaMn0.2Fe0.2Co0.2Ni0.2Ti0.2O2 is presented which achieves superior electrochemical properties with a stable capacity of ca. 180 mAh g(-1). The understanding of its high performance is based on a complex study of the multiphase intercalation mechanism. The combination of advanced structural analysis by XAS, in situ XRD, TEM, and computational DFT modelling gives a new concept on the nature of O3-P3 structure reorganization. The presented experimental and theoretical evidence indicates that the P3 phase of layered oxides is energetically favourable for a lower sodium content for specific transition metal-oxide pair distance. Fundamental understanding of the nature of phase transformation is crucial for tailoring structural composition, where the desirable O3-P3 reorganization will occur, resulting in achieving high-performance cathodes.

In this study curcumin was immobilized in a silica matrix to overcome its poor aqueous solubility and rapid degradation profile. Two kinds of sol-gel powders based on colloidal silica were synthesized and characterized, one prepared with an ethanolic solution of curcumin and the other using cethyltrimethylammonium bromide (CTAB) to solubilize the dye. The successful integration of curcumin in the matrix as well as the interaction with the components of the composite powders was validated by different analysis methods (DSC, FTIR). The samples morphology was evaluated by SEM. UV-Vis and fluorescence studies showed that curcumin was stable, in its enol configuration in both matrices. The sensitivity to ammonia was proved by exposing the powders to NH3 vapors in a sealed vessel. Color changes were measured with a colorimeter. UV-Vis spectra showed that the enol form of the dye in EtOH/CTAB based SiO2 matrices was energetically stable under NH3 atmosphere, even after being kept a few days at low temperature. A fluorescence quenching of both samples was noticed due to interaction curcumin-ammonia. Both samples have antimicrobial properties, the CTAB containing one being more efficient. The EtOH/CTAB based SiO2 powders may represent a novel signaling and antimicrobial system, useful for food or pharmaceutical applications. [GRAPHICS] .

The research efforts focused on the implementation of Heusler materials into spintronic heterostructures triggered the investigations on the half-metallic and magnetic properties on Zr2CrAl ferrimagnetic com-pound.The theoretical investigations based on Density Functional Theory were performed on the tetragonal,orthorhombic and rhombohedral distortions of the typical inverse-Heusler cubic crystalline structure, previously reported. The compound exhibits half-metallic characteristics for all deformations considered. The slight variations in volume of the unit cell do not destroy the high spin polarization state.The band gap from minority spin channel slightly decreases in orthorhombic and rhombohedral deformations.The total magnetic moment calculated per formula unit is integer (equal to 1(mu B)/f.u.) and follows the Slater-Pauling rule for all cases investigated. The antiferromagnetic coupling between the Zr and Cratoms was preserved. The functionality of ferrimagnetic full-Heusler alloys to be used as overlayers in the production of epitaxially deposited heterostructures on substrates with crystalline structures other than cubic was proven. (C) 2021 Elsevier B.V. All rights reserved.

The concentration of thyroxine hormone is linked to a large variety of medical conditions, where the best therapy is hormone substitution, through administration of levothyroxine (LT4) medication. Herewith, the detection of these biomolecules still lacks a simple, reliable tool, such as label-free sensors.In this work, the performances of commercial screen-printed carbon electrodes, containing different nanostructured materials (carbon nanotubes, graphene, and gold nanoparticles), used as sensors for LT4 detection, were described and compared. Electrochemical methods were used for the characterization of the nanostructure-based sensors. Several optimization steps were undertaken to achieve optimum performances for selective LT4 quantification. The redox behaviour of LT4 at sensors surface together with the interfacial changes, which occur due to the interaction between nanostructures and LT4, were studied by electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV). Differential pulse voltammetry (DPV) was used for LT4 detection, where best performances were obtained in the presence of carbon nanotubes, with a detection limit of 30 nM.

A new core-shell pH-responsive nanocarrier was prepared based on magnetic nanoparticle (MNP) core. Magnetic nanoparticles were first modified with hyperbranched polyglycerol as the first shell. Then the magnetic core was decorated with doxorubicin anticancer drug (DOX) and covered with PEGylated carboxymethylcellulose as the second shell. Borax was used to partially cross-link organic shells in order to evaluate drug loading content and pH-sensitivity. The structure of nanocarrier, organic shell loadings, magnetic responsibility, morphology, size, dispersibility, and drug loading content were investigated by IR, NMR, TG, VSM, XRD, DLS, HR-TEM and UV-Vis analyses. In vitro release investigations demonstrated that the use of borax as cross-linker between organic shells make the nanocarrier highly sensitive to pH so that more that 70% of DOX is released in acidic pH. A reverse pH sensitivity was observed for the nanocarrier without borax cross-linker. The MTT assay determined that the nanocarrier exhibited excellent biocompatibility toward normal cells (HEK-293) and high toxicity against cancerous cells (HeLa). The nanocarrier also showed high hemocompatibility. Cellular uptake revealed high ability of nanocarrier toward HeLa cells comparable with free DOX. The results also suggested that low concentration of nanocarrier has a great potential for use as contrast agent in magnetic resonance imaging (MRI).

The use of superconducting (SC) materials is crucial for shielding quasi-static magnetic fields. However, the need for space-saving solutions with high shielding performance requires the development of a three-dimensional (3D) modelling procedure capable of predicting the screening properties for different orientations of the applied field. In this paper, we use a 3D numerical model based on a vector potential formulation to investigate the shielding ability of SC screens with cylindrical symmetry and a height/diameter aspect ratio close to unity, without and with the superimposition of a ferromagnetic (FM) circular shell. The chosen materials were MgB2 and soft iron. First, the outcomes of the calculations were compared with the experimental data obtained with different shielding arrangements, achieving a notable agreement in both axial field (AF) and transverse field (TF) orientations. Then, we used this validated modelling approach to investigate how the magnetic mitigation properties of a cup-shaped SC bulk can be improved by the superimposition of a coaxial FM cup. Calculations highlighted that the FM addition is very efficient in enhancing the shielding factors (SFs) in the TF orientation. Assuming a working temperature of 30 K and using a layout with the FM cup protruding over the SC one, SFs up to eight times greater than those with a single SC cup were attained at applied field up to 0.15 T, reaching values equal to or higher than 10(2) in the inner half of the shield. In the AF orientation, the addition of the same FM cup incurs a modest worsening at low fields, but at the same time it widens the applied field range where SF > 10(4) occurs near the close extremity of the shield to over 1 T.