National Institute Of Materials Physics - Romania

Zeolite Y samples with microporous and hierarchical structures containing Ti-Ni and Ti-Co oxides were obtained as active photocatalysts. Different Ti amounts (5, 10% TiO2) were supported, followed by the loading of Ni or Co oxides (5%). X-ray diffraction evidenced the presence of TiO2 as an anatase. N-2 adsorption-desorption results showed type IV isotherms for hierarchical zeolite Y samples, and a combination of type IV and I isotherms for zeolite Y samples. UV-Vis diffuse reflectance spectra showed a shift in the absorption band to visible with increasing Ti loading and especially after Co and Ni addition. A significant effect of the support was evidenced for Ti and its interaction with Co/Ni species. The zeolite Y support stabilized Ti in the 4+ oxidation state while hierarchical zeolite Y support favored the formation of Ti3+ species, Ni-0 and Ni2+ and the oxidation of Co to 3+ oxidation state. Photocatalytic activity, under UV and visible light irradiation, was evaluated by the degradation of amoxicillin, used as a model test. The photocatalytic mechanism was investigated using ethanol, p-benzoquinone and KI as & BULL;OH and & BULL;O-2(-) radicals and hole (h(+)) scavengers. The best results were obtained for the immobilized Ni-Ti species on the hierarchical zeolite Y support.

Personal and industrial use of internal combustion engines (ICEs) is projected to continue until 2050 and beyond. Yet demands to reduce global dependence on petrochemicals and fossil fuel-derived lubricants are increasing and environmentally necessary. New strategies for maintaining and enhancing ICE performance by reducing friction, wear, fuel consumption, and exhaust emissions will reduce the depletion of mineral and fossil fuel reserves and environmental pollution. This paper reports the tribological enhancement of nano-bio lubricants formulated using 2D nanocomposites of Al2O3/graphene as novel additives in coconut oil, whose performance as a lubricant compares favorably with the mineral-based engine oil 15W40. Structural, compositional, and morphological characterization of the Al2O3/graphene nanocomposite revealed an ultra-fine particle size (< 10 nm) with spherical/laminar morphology and a rich sp2 domain, exhibiting a consistent colloidal stability when formulated as nanofluid. Through the use of various characterization techniques, including friction and wear analysis we gained valuable insight into the tribological mechanism. Our optimization of this 2D tribological system using coconut oil formulation resulted significant reductions in the coefficient of friction (28 %), specific fuel con-sumption (8 %), and exhaust pollutant emissions (CO, SO2, and NOx). This work demonstrates the benefits of using nano-bio lubricant formulated using coconut oil and 2D-based hybrids as base stock and additives, delivering solutions to global challenges such as improving fuel consumption while reducing environmental pollution; solutions that can be transferred to other areas where lubricants are a necessity.

Nanostructured oxides (SiO2, TiO2) were synthesized using the sol-gel method and mod-ified with noble metal nanoparticles (Pt, Au) and ruthenium dye to enhance light harvesting and promote the photogeneration of reactive oxygen species, namely singlet oxygen (O-1(2)) and hydroxyl radical (center dot OH). The resulting nanostructures were embedded in a transparent polyvinyl alcohol (PVA) hydrogel. Morphological and structural characterization of the bare and modified oxides was performed using scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), UV-Vis spectroscopy, and X-ray photoelectron spectroscopy (XPS). Additionally, electrokinetic potential measurements were conducted. Crystallinity data and elemental analysis of the investigated systems were obtained through X-ray diffraction and X-ray fluorescence analyses, while the chemical state of the elements was determined using XPS. The engineered ma-terials, both as simple powders and embedded in the hydrogel, were evaluated for their ability to generate reactive oxygen species (ROS) under visible and simulated solar light irradiation to establish a correlation with their antibacterial activity against Staphylococcus aureus. The generation of singlet oxygen (O-1(2)) by the samples under visible light exposure can be of significant importance for their potential use in biomedical applications.

The composites of transition metal-doped titania and carbon have emerged as promising supports for Pt electrocatalysts in PEM fuel cells. In these multifunctional supports, the oxide component stabilizes the Pt particles, while the dopant provides a co-catalytic function. Among other elements, Sn is a valuable additive. Stong metal-support interaction (SMSI), i.e., the migration of a partially reduced oxide species from the support to the surface of Pt during reductive treatment is a general feature of TiO2-supported Pt catalysts. In order to explore the influence of SMSI on the stability and performance of Pt/Ti0.8Sn0.2O2-C catalysts, the structural and catalytic properties of the as prepared samples measured using XRD, TEM, XPS and electrochemical investigations were compared to those obtained from catalysts reduced in hydrogen at elevated temperatures. According to the observations, the uniform oxide coverage of the carbon backbone facilitated the formation of Pt-oxide-C triple junctions at a high density. The electrocatalytic behavior of the as prepared catalysts was determined by the atomic closeness of Sn to Pt, while even a low temperature reductive treatment resulted in Sn-Pt alloying. The segregation of tin oxide on the surface of the alloy particles, a characteristic material transport process in Sn-Pt alloys after oxygen exposure, contributed to a better stability of the reduced catalysts.

Iron-doped Co3O4 oxides prepared by a surfactant-assisted method exhibited good catalytic activity in malic acid conversion, and the oxygen defects associated with the presence of Co2+ played a key role in catalyst activation for pyruvic acid production. The most active catalyst, for which the malic acid conversion was 70% and the pyruvic acid yield was 24%, has an inverse spinel type structure (Fe3+ replaces Co2+ from tetrahedral sites, while Fe2+ replaces Co3+ from octahedral sites) as well as a small energy difference between the highest occupied orbital and the lowest unoccupied orbital (low band-gap, E-g). The catalyst with the highest Co2+ loading showed the highest yield of pyruvic acid.

Pockels and Kerr effects are linear and nonlinear electro-opticaleffects, respectively, used in many applications. The modulation ofthe refractive index is employed in different photonic circuits. However,the greatest challenge is in photonic elements for quantum computingat room temperature. For this aim, materials with strong Pockels/Kerreffects and & chi;((2))/& chi;((3)) nonlinearsusceptibilities are necessary. Here, we demonstrate composition-modulatedstrong electro-optical response in epitaxial films of (Ba,Ca)(Ti,Zr)O-3 perovskite titanate. These films are grown by pulsed laserdeposition on SrTiO3. Depending on the ratios of Ca/Baand Ti/Zr, films show high Pockels or Kerr optical nonlinearities.We relate the variable electro-optic response to the occurrence ofnanopolar domains with different symmetries in a selected compositionrange. These findings open the route to easily implement nonlinearoptical elements in integrated photonic circuits.

Using the master equation approach, we look for fingerprints of the interaction between the localized spin S of a nanomagnet coupled to spin-polarized leads and its quantized vibrational modes. We find that the stationary and transient currents are sensitive to vibron-assisted transitions of the molecular spin on both sides of the anisotropy barrier. Such transitions are associated with vibron-dressed states and triggered under resonant conditions. Transport calculations are presented for two antiparallel configurations of the spin-polarized electrodes. In the first configuration, and far from a resonance point, a blockade is imposed on both the electronic and molecular spins via their exchange interaction. When sweeping the magnetic field through resonance, the spin-vibron interaction removes this blockade and allows the indirect reading of resonant transitions as the molecular spin climbs the left side of the anisotropy barrier. In the second configuration, the anisotropy barrier is overcome but the vibron-assisted transitions on the right side of the anisotropy barrier "delocalize" the molecular spin and do not allow the complete current-induced magnetic switching -S & RARR; S. In both configurations, the stationary current increases on resonance, due to additional transport channels triggered by the spin-vibron coupling. Therefore, the switching of the spin-vibron coupling could be detected in future transport experiments.

Chiral materials showing Kramers-Weyl fermions represent a suitable platform for quantum technology, i.e., for engineering quantum solenoids, spin-torque devices, polarization-sensitive photodetectors based on quantized circular photogalvanic effect, etc. Accordingly, the stability of this class of materials in oxidative environments, such as the ambient atmosphere, should be carefully investigated to succeed in technology transfer. Here, taking as case-study example the well-recognized topological chiral system cadmium diarsenide (CdAs2), we assess its chemical reactivity towards ambient gases (oxygen and water) and air by density functional theory and experiments. The surface of CdAs2 evolves into an oxide skin, but its thickness remains nanometric even after one year in air, as directly imaged by high-resolution transmission electron microscopy. Accordingly, it is evident that future quantum devices based on Kramers-Weyl fermions could be stable in air, as the oxide layer formed on chiral quantum materials only represents a native oxide, which actually protects bulk features, including Kramers-Weyl fermions (correlated to bulk band structure), from degradation in air.

Recent experiments demonstrated that single-particle quantum walks can reveal the topological properties of single-particle states. Here, we generalize this picture to the many-body realm by focusing on multiparticle quantum walks of strongly interacting fermions. After injecting N particles with multiple flavors in the interacting SU(N) Su-Schrieffer-Heeger chain, their multiparticle continuous-time quantum walk is monitored by a variety of methods. We find that the many-body Berry phase in the N-body part of the spectrum signals a topological transition upon varying the dimerization, similarly to the single-particle case. This topological transition is captured by the single- and many-body mean chiral displacement during the quantum walk and remains present for strong interaction as well as for moderate disorder. Our predictions are well within experimental reach for cold atomic gases and can be used to detect the topological properties of many-body excitations through dynamical probes.

Nanostructured surfaces based on silver nanoparticles decorated ZnO-CuO core-shell nanowire arrays, which can assure protection against various environmental factors such as water and bacteria were developed by combining dry preparation techniques namely thermal oxidation in air, radio frequency (RF) magnetron sputtering and thermal vacuum evaporation. Thus, high-aspect-ratio ZnO nanowire arrays were grown directly on zinc foils by thermal oxidation in air. Further ZnO nanowires were coated with a CuO layer by RF magnetron sputtering, the obtained ZnO-CuO core-shell nanowires being decorated with Ag nanoparticles by thermal vacuum evaporation. The prepared samples were comprehensively assessed from morphological, compositional, structural, optical, surface chemistry, wetting and antibacterial activity point of view. The wettability studies show that native Zn foil and ZnO nanowire arrays grown on it are featured by a high water droplet adhesion while ZnO-CuO core-shell nanowire arrays (before and after decoration with Ag nanoparticles) reveal a low water droplet adhesion. The antibacterial tests carried on Escherichia coli (a Gram-negative bacterium) and Staphylococcus aureus (a Gram-positive bacterium) emphasize that the nanostructured surfaces based on nanowire arrays present excellent antibacterial activity against both type of bacteria. This study proves that functional surfaces obtained by relatively simple and highly reproducible preparation techniques that can be easily scaled to large area are very attractive in the field of water repellent coatings with enhanced antibacterial function.