Publications

Anode materials are key to determining the energy density, cyclability and of life recyclability for Li-ion energy storage systems. High surface area materials, such as MXenes, can be manufactured with improved electrochemical properties that remove the need for polymeric binders or hazardous chemicals that pose a challenge to recycle Li-ion batteries. However, there remains a challenge to produce Li-ion anode materials that are binder free and poses energy storage characteristics that match the current carbon-based electrodes. Here we show the synthesis of N-doped MXene-TiO2 hybrid anode materials using an aqueous route. N-doped TiO2-MXene was modified using a single step continuous hydrothermal process. Capacity tests indicate an improvement from the initial specific energy capacity of 305 mAhg(-1) to 369 mAhg(-1) after 100 cycles at a charge rate of 0.1 C and a Coulombic efficiency of 99.7%. This compares to 252 mAhg(-1) for the unmodified MXene which exhibited significant capacity fade to 140 mAhg(-1). The ability to manufacture a Li-ion anode that does not require toxic chemicals for processing into an electrode and exhibits good energy storage characteristics in a binder free system is a significant step forward for energy storage applications.

In this work, thermoelectric properties of the nanocomposite materials produced via ball milling followed by spark plasma sintering from In0.2Yb0.2Co4Sb12 double filled skutterudite (SKT) with silicon and tungsten carbide inclusions are investigated. The nanocomposites with low volume ratios of beta-SiC and '-WC have a significantly increased power factor, while the lattice thermal conductivity is lowered only for beta-SiC composites. The power factor enhancement in '-WC/SKT composite compensates the increase of its thermal conductivity, and as a consequence, the maximum value of the figure of merit, 0.97, is attained for 0.33 v% 'WC at 450 degrees C, with 15% higher than that of the simple skutterudite sample. (c) 2021 Elsevier B.V. All rights reserved.

The interaction of radiation with matter takes place through energy transfer and is accomplished especially by ionized atoms or molecules. The effect of radiation on biological systems involves multiple physical, chemical and biological steps. Direct effects result in a large number of reactive oxygen species (ROS) within and outside and inside of the cells as well, which are responsible for oxidative stress. Indirect effects are defined as alteration of normal biological processes and cellular components (DNA, protein, lipids, etc.) caused by the reactive oxygen species directly induced by radiation. In this work, a classical design of an electrochemical (EC) three-electrodes system was employed for analyzing the effects of proton beam radiation on melanoma B16 cell line. In order to investigate the effect of proton radiation on the B16 cells, the cells were grown on the EC surface and irradiated. After optimization of the experimental set-up and dosimetry, the radiobiological experiments were performed at doses ranging between 0 and 2 Gy and the effect of proton beam irradiation on the cells was evaluated by the means of cyclic voltammetry and measuring the open circuit potential between working and reference electrodes.

We revisit the theoretical description of the ultrastrong light-matter interaction in terms of exactly solvable effective Hamiltonians. A perturbative approach based on polaronic and spin-dependent squeezing transforma-tions provides an effective Hamiltonian for the quantum Rabi model up to the second order in the expansion parameter. The model consistently includes both rotating and counter-rotating terms, going therefore beyond the rotating-wave approximation. Analytical and numerical results show that the proposed Hamiltonian performs better than the Bloch-Siegert model when calculating operator averages (e.g., the mean photon number and number of excitations). This improvement is due to a refined calculation of the dressed states within the present model. Regarding the frequency shift induced by the qubit-photon interaction, we find a different sign from the Bloch-Siegert value. This influences the structure of the eigenstates in a nontrivial way and ensures the correct calculation of the number of excitations associated with a given dressed state. As a consistency check, we show that the exactly solvable independent boson model is reproduced as a special limit case of the perturbative Hamiltonian.

Detailed tests and analysis of ageing effects of high irradiation dose on Multi-Strip Multi-Gap Resistive Plate Counters (MSMGRPC) based on low resistivity glass electrodes, foreseen to be used for the most forward polar angles covered by the Time-of Flight (ToF) sub-detector of the Compressed Baryonic Matter (CBM) experiment at Facility for Antiprotons and Ion Research (FAIR) - Darmstadt are reported. The tests were performed at a multi-purpose irradiation facility of IFIN-HH based on Co-60 source. MSMGRPC efficiency, cluster size, surface and volume resistivity of the glass electrodes after irradiation are measured and compared with their values before irradiation. The results of a comprehensive analysis of the composition and properties of the deposited layers on the glass electrodes, based on different methods, i.e. Scanning Electron Microscope (SEM), X-ray Photoelectron Spectroscopy (XPS), foil Elastic Recoil Detection Analysis (ERDA), Rutherford Backscattering Spectrometry (RBS), Atomic Force Microscopy (AFM) and Terahertz Time Domain Spectroscopy (THz-TDS), are presented.

Magnetic ceramic nanoparticles system xNd(2)O(3)-(1-x)alpha-Fe2O3 (x = 0.1, 0.3 and 0.5) was synthesized by mechanochemical activation starting from hematite and neodymium oxide precursors and characterized by X-ray diffraction (XRD) and Mossbauer spectroscopy. Rietveld refinement of XRD data evidenced the formation of neodymium orthoferrite NdFeO3 as an end-product with a particle size of about 22 nm, determined using the Scherrer method for x = 0.5. The Mossbauer spectra were typically analyzed considering 2 sextets, corresponding to hematite and neodymium orthoferrite and a doublet, representing superparamagnetic particles (SPM). The recoilless fractions were determined using our dual absorber method and were found consistent with a decrease in particle size as consequence of the ball milling process performed.

In an attempt to increase the biological activity of the 1,2,4-triazolo[1,5-a]pyrimidine scaffold through complexation with essential metal ions, the complexes trans-[Cu(mptp)(2)Cl-2] (1), [Zn(mptp)Cl-2(DMSO)] (2) (mptp: 5-methyl-7-phenyl-1,2,4-triazolo[1,5-a]pyrimidine), [Cu-2(dmtp)(4)Cl-4]center dot 2H(2)O (3) and [Zn(dmtp)(2)Cl-2] (4) (dmtp: 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine), were synthesized and characterized as new antiproliferative and antimicrobial species. Both complexes (1) and (2) crystallize in the P2(1)/n monoclinic space group, with the tetrahedral surroundings generating a square-planar stereochemistry in the Cu(II) complex and a tetrahedral stereochemistry in the Zn(II) species. The mononuclear units are interconnected in a supramolecular network through pi-pi interactions between the pyrimidine moiety and the phenyl ring in (1) while supramolecular chains resulting from C-H center dot center dot center dot pi interactions were observed in (2). All complexes exhibit an antiproliferative effect against B16 tumor cells and improved antibacterial and antifungal activities compared to the free ligands. Complex (3) displays the best antimicrobial activity against all four tested strains, both in the planktonic and biofilm-embedded states, which can be correlated to its stronger DNA-binding and nuclease-activity traits.

Nanosized CoFe1.8RE0.2O4 (RE3+ = Tb3+, Er3+) ferrites were obtained through wet ferritization method. These ferrites were characterized by X-ray diffraction (XRD), scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM/HR-TEM), Fourier transform infrared spectroscopy (FTIR), Mossbauer spectroscopy and magnetic measurements. The XRD results revealed that the average crystallite size is 5.77 nm for CoFe1.8Tb0.2O4 and 6.42 nm for CoFe1.8Er0.2O4. Distribution of metal cations in the spinel structure estimated from X-ray diffraction data showed that the Tb3+ and Er3+ ions occupy the octahedral sites. TEM images indicated the presence of polyhedral particles with average size 5.91 nm for CoFe1.8Tb0.2O4 and 6.80 nm for CoFe1.8Er0.2O4. Room temperature Mossbauer spectra exhibit typical nanoscaled cobalt ferrite spectra in good agreement with XRD and TEM data. The saturation magnetization value (M-s) is 60 emu/g for CoFe1.8Tb0.2O4 and 80 emu/g for CoFe1.8Er0.2O4. CoFe1.8RE0.2O4 nanoparticles showed similar antimicrobial efficacy against the five tested microbial strains, both in planktonic and biofilm state. The results highlight the promising potential of these types of nanoparticles for the development of novel anti-biofilm agents and materials.

Luminescent nanocrystals embedded into silica microspheres were shown to be useful for silica labeling for biological applications, ensuring mechanical and chemical stability, nontoxicity, biocompatibility and optical properties. We used sol-gel technology to prepare silica nanospheres embedded with fluorescent and magnetic Eu3+(1 mol%)-doped CeO2 nanocrystals. The X-ray diffraction pattern analysis and transmission electron microscopy investigations showed CeO2:Eu3+(1 mol%) nanocrystals of about 9 nm size and Ce3+ ions substitution by the Eu3+ ions; the nanocrystals dispersed inside the nanosized silica spheres of about 400 nm diameters. The photoluminescence spectra recorded under UV-light excitation showed Eu3+ ions luminescence peaks (D-5(0)-F-7(J), J = 0-4) accompanied by a weaker 425 nm luminescence due to the silica matrix; the quantum yield was 0.14. The weak hysteresis loop and magnetization curves recorded up to 20,000 Oe showed dominantly paramagnetic behavior associated with the silica matrix; a slight opening of the hysteresis loop to a very small magnetic field (about 0.005 Oe) was due to the presence of the two rare earth ions. The photonic crystal properties of SiO2-CeO2:Eu3+(1 mol%) silica nanospheres deposited as films on quartz plates were revealed by the two weak attenuation peaks at 420 and 500 nm and were associated with the reflection from different planes. The SiO2-CeO2:Eu3+(1 mol%) nanospheres are attractive potential candidates for photonics-related applications or for multifunctional bio-labels by combining the luminescence and magnetic properties of the nanocrystals.

Ag/Ga were incorporated into resorbable orthopaedic phosphate bioactive glasses (PBG, containing P, Ca, Mg, Na, and Fe) thin films to demonstrate their potential to limit growth of Staphylococcus aureus and Escherichia coli in post-operative prosthetic implantation. Dual target consecutive co-sputtering was uniquely employed to produce a 46 nm Ag:PBG composite observed by high resolution TEM to consist of uniformly dispersed similar to 5 nm metallic Ag nano-particles in a glass matrix. Ga3+ was integrated into a phosphate glass preform target which was magnetron sputtered to film thicknesses of similar to 400 or 1400 nm. All coatings exhibited high surface energy of 75.4-77.3 mN/m, attributed to the presence of hydrolytic P-O-P structural surface bonds. Degradation profiles obtained in deionized water, nutrient broth and cell culture medium showed varying ion release profiles, whereby Ga release was measured in 1400 nm coating by ICP-MS to be similar to 6, 27, and 4 ppm respectively, fully dissolving by 24 h. Solubility of Ag nanoparticles was only observed in nutrient broth (similar to 9 ppm by 24 h). Quantification of colony forming units after 24 h showed encouraging antibacterial efficacy towards both S. aureus (4-log reduction for Ag:PBG and 6-log reduction for Ga-PBG approximate to 1400 nm) and E. coli (5-log reduction for all physical vapour deposited layers) strains. Human Hs27 fibroblast and mesenchymal stem cell line in vitro tests indicated good cytocompatibility for all sputtered layers, with a marginal cell proliferation inertia in the case of the Ag:PBG composite thin film. The study therefore highlights the (i) significant manufacturing development via the controlled inclusion of metallic nanoparticles into a PBG glass matrix by dual consecutive target co-sputtering and (ii) potential of PBG resorbable thin-film structures to incorporate and release cytocompatible/antibacterial oxides. Both architectures showed prospective bio-functional performance for a future generation of endo-osseous implant-type coatings.