National Institute Of Materials Physics - Romania

Infections related to orthopedic/stomatology surgery are widely recognized as a significant health concern. Therefore, the development of new materials with superior biological properties and good stability could represent a valuable alternative to the classical treatments. In this paper, the fluorine-substituted hydroxyapatite (FHAp) suspension, with the chemical formula Ca10(PO4)6(OH)2-2xF2x (where x = 0.05), was prepared using a modified coprecipitation technique. Stability studies were conducted by zeta potential and ultrasound measurements for the first time. The X-ray diffraction (XRD) patterns of FHAp powders displayed a hexagonal structure akin to that of pure hydroxyapatite (HAp). The XPS general spectrum revealed peaks corresponding to the constituent elements of fluorine-substituted hydroxyapatite such as calcium, phosphorus, oxygen, and fluorine. The purity of the obtained FHAp samples was confirmed by energy-dispersive X-ray spectroscopy (EDS) studies. The FHAp morphology was evaluated by scanning electron microscopy (SEM) measurements. Fourier-transform infrared spectroscopy (FTIR) studies were performed in order to study the vibrational properties of the FHAp samples. The FHAp suspensions were tested for antibacterial activity against reference strains such as Staphylococcus aureus 25923 ATCC, Escherichia coli ATCC 25922, and Candida albicans ATCC 10231. Additionally, the biocompatibility of the FHAp suspensions was assessed using human fetal osteoblastic cells (hFOB 1.19 cell line). The results of our biological tests suggest that FHAp suspensions are promising candidates for the future development of new biocompatible and antimicrobial agents for use in the biomedical field.

Our study focuses on disclosing the mechanisms standing behind the improved photocatalytic performance of SrTiO3, where Al modification of the perovskite structure boosts the photocatalytic O2 evolution activity of the Al:SrTiO3 system. By adapting the synthesis method that produces well-crystallized materials with low defect density and employing surface modification techniques, we aim to enhance the photocatalytic efficiency of SrTiO3 via Al2O3 nanoceramic oxide doping at concentrations ranging from 0 to 10% and further examining of the relationship between doping process and the changes in the electronic and crystalline structure of SrTiO3. The prepared Al-based SrTiO3 perovskite samples (Al3%:SrTiO3, Al7%:SrTiO3, Al10%:SrTiO3) were thoroughly characterized to understand their structural, electronic, and morphological properties. Complementary X-ray techniques were employed to assess the stoichiometry (X-ray photoelectron spectroscopy - XPS), local environment, and chemical state (X-ray absorption spectroscopy - XAS in both total electron yield (TEY) and fluorescence yield (TFY). The comprehensive characterization enables us to understand the changes in the electronic properties and morphological features of the modified samples elucidating the surface formation mechanism while providing insights into the structural modifications induced by Al doping in the SrTiO3 perovskite lattice. Our findings give new perspectives for the development of Al-modified SrTiO3 perovskite materials with enhanced photocatalytic performance providing rich insights into the optimization of photocatalytic processes for applications in environmental remediation and sustainable energy production.

The process of N-doping is frequently employed to enhance the properties of carbon quantum dots. However, the precise requirements for nitrogen precursors in producing high-quality N-doped carbon quantum dots (NCQDs) remain undefined. This research systematically examines the influence of various nitrogen dopants on the morphology, optical features, and band structure of NCQDs. The dots are synthesized using an efficient, eco- friendly, and rapid continuous hydrothermal flow technique. This method offers unparalleled control over synthesis and doping, while also eliminating convention-related issues. Citric acid is used as the carbon source, and urea, trizma base, beta-alanine, L-arginine, and EDTA are used as nitrogen sources. Notably, urea and trizma produced NCQDs with excitation-independent fluorescence, high quantum yields (up to 40%), and uniform dots with narrow particle size distributions. Density functional theory (DFT) and time-dependent DFT modelling established that defects and substituents within the graphitic structure have a more significant impact on the NCQDs' electronic structure than nitrogen-containing functional groups. Importantly, for the first time, this work demonstrates that the conventional approach of modelling single-layer structures is insufficient, but two layers suffice for replicating experimental data. This study, therefore, provides essential guidance on the selection of nitrogen precursors for NCQD customization for diverse applications. This manuscript highlights continuous hydrothermal flow synthesis (CHFS) that directly obtains luminescent nitrogen doped carbon quantum dots using a simple precursor, citric acid, whilst varying the N-dopants to systematically engineer carbon dots with varied but controllable optical characteristics. It reports that a common approach of modelling single-layer structures is insufficient, but two layers suffice to reproduce the experimental data. image

Carbon monoxide (CO) is reversibly adsorbed on and desorbed from ferroelectric (001) oriented, BaO-terminated barium titanate. All processes are characterized in real time via photoelectron spectroscopy. Adsorption proceeds on different sites/geometries as a function of substrate temperature. Below room temperature, CO is adsorbed on surface Ba. At room temperature, adsorption proceeds on surface oxygen, whereas at high temperatures, "hollow" site adsorption occurs with carbon coordinated with three oxygens, one oxygen initially belonging to CO and two oxygens from the substrate. The amount of CO adsorbed is about one molecule for 10 surface unit cells, which is slightly increased at low temperatures. CO is desorbed if the substrate is heated above the Curie temperature, which is a sign of the definitory role of ferroelectric polarization. The BaTiO3(001) surface is unaffected by repeated cycles of adsorption-desorption.

Visible light-mediated photodegradation offers a sustainable and environmentally friendly solution for removing emerging contaminants from water sources. Herein, we report on the synergy effect between adsorption and visible-light-driven photo-degradation of 17 fl - estradiol using (Au)TiO 2 nanotubes-graphene composites. The graphene structures (graphene oxide - GO or thermally reduced graphene oxide - trGO) provide a platform for strong adsorption of 17 fl -estradiol molecules and facilitate the charge transfer between plasmonic Au nanoparticles and TiO 2 , leading to an improvement of the overall degradation process. To better understand the effect of Au nanoparticles and TiO 2 separately, three different concentrations of Au (1 %, 2.5 %, and 5 %) were prepared and characterized. The estrogenic molecules preferred GO over trGO, suggesting that hydrogen bonds govern the interaction between GO and 17 fl -estradiol. Consequently, a higher photocatalytic efficiency of GOcontaining composites was observed when removing estrogenic molecules. The role of adsorption proved crucial for capturing and retaining more contaminant molecules on the composite surface, thus increasing the odds of surface reactions with the photogenerated carriers. A total removal of 17 fl -estradiol has been obtained for Au (1 %, 2.5 %, and 5 %) TiO 2 nanotubes-GO. The mechanism behind the adsorption and photo-degradation processes has been discussed.

Considering the increasing need for sustainable and economical energy storage solutions, the integration of layered materials such as MoS2 into these systems represents an important step toward enhancing energy sustainability and efficiency. Exploring environmentally responsible fabrication techniques, this study assesses wrinkled MoS2 thin films synthesized from distinct Mo and MoS2 targets, followed by sulfurization conducted in a graphite box. We utilized magnetron sputtering to deposit precursor Mo and MoS2 films on Si substrates, achieving thicknesses below 20 nm. This novel approach decreases sulfur by up to tenfold during sulfurization due to the confined space technique, contributing also to avoiding the formation of toxic gases such as SO2 or the necessity of using H2S, aligning with sustainable materials development. Thinner MoS2 layers were obtained post-sulfurization from the MoS2 precursors, as shown by X-ray reflectometry. Raman spectroscopy and grazing X-ray diffraction analyses confirmed the amorphous nature of the as-deposited films. Post-sulfurization, both types of films exhibited crystalline hexagonal MoS2 phases, with the sulfurized Mo showing a polycrystalline nature with a (100) orientation and sulfurized MoS2 displaying a (00L) preferred orientation. The X-ray photoelectron spectroscopy results supported a Mo:S ratio of 1:2 on the surface of the films obtained using the MoS2 precursor films, confirming the stoichiometry obtained by means of energy dispersive X-ray spectroscopy. Scanning electron microscopy and atomic force microscopy images revealed micrometer-sized clusters potentially formed during rapid cooling post-sulfurization, with an increased average roughness. These results open the way for the further exploration of wrinkled MoS2 thin films in advanced energy storage technologies.

Herein, alpha-MoO3 micro- and nanoparticles were synthesized by a modified Pechini method, and the impact of the crystal structure and crystal growth orientation on the formation of ionic defects and, consequently, on the catalytic performance of the materials in the ethylic transesterification reaction for biodiesel production was investigated. Structural refinements from X-ray diffraction data and Raman spectra revealed the formation of alpha-MoO3 in a Pbnm orthorhombic phase, with nanoplate-like morphology at 500 degrees C (thickness between 100 and 260 nm) or ribbon-like morphology at 700 degrees C (thickness between 400 and 900 nm). An anisotropic crystal orientation along the [010] direction was observed with an increase of the calcination temperature. We emphasize the dependence of the orientation change with the elimination of ionic-type defects (oxygen vacancies and reduced Mo5+ centers) by the temperature using complementary techniques such as X-ray photoelectron and electron paramagnetic resonance spectroscopies. The catalytic activity of the samples depends on the orientation process and the presence of defects that act as acid-active sites on the catalyst surface and therefore play an important role in biodiesel production. This effect was confirmed by surface stability and reactivity simulated by density functional theory calculations, suggesting that the Mo and O surface terminals greatly impacted the interface catalytic reaction. The highest catalytic performance toward the biodiesel conversion (89% of conversion at 150 degrees C for 2 h) was achieved for the polycrystalline catalyst calcined at 500 degrees C, which was correlated with random crystal orientation and the presence of reduced Mo5+ and oxygen vacancy centers on the different facets exposed on the surface. The biodiesel production was confirmed by H-1 and C-13 NMR spectroscopy and gas chromatography analysis.

The process of N-doping is frequently employed to enhance the properties of carbon quantum dots. However, the precise requirements for nitrogen precursors in producing high-quality N-doped carbon quantum dots (NCQDs) remain undefined. This research systematically examines the influence of various nitrogen dopants on the morphology, optical features, and band structure of NCQDs. The dots are synthesized using an efficient, eco- friendly, and rapid continuous hydrothermal flow technique. This method offers unparalleled control over synthesis and doping, while also eliminating convention-related issues. Citric acid is used as the carbon source, and urea, trizma base, beta-alanine, L-arginine, and EDTA are used as nitrogen sources. Notably, urea and trizma produced NCQDs with excitation-independent fluorescence, high quantum yields (up to 40%), and uniform dots with narrow particle size distributions. Density functional theory (DFT) and time-dependent DFT modelling established that defects and substituents within the graphitic structure have a more significant impact on the NCQDs' electronic structure than nitrogen-containing functional groups. Importantly, for the first time, this work demonstrates that the conventional approach of modelling single-layer structures is insufficient, but two layers suffice for replicating experimental data. This study, therefore, provides essential guidance on the selection of nitrogen precursors for NCQD customization for diverse applications. This manuscript highlights continuous hydrothermal flow synthesis (CHFS) that directly obtains luminescent nitrogen doped carbon quantum dots using a simple precursor, citric acid, whilst varying the N-dopants to systematically engineer carbon dots with varied but controllable optical characteristics. It reports that a common approach of modelling single-layer structures is insufficient, but two layers suffice to reproduce the experimental data. image

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.

In a milestone paper [F. D. M. Haldane, Phys. Rev. Lett. 61, 2015 (1988)], Haldane elaborated a model of graphene within the time -reversal symmetry breaking is achieved by next -nearest -neighbors imaginary counterrotating hopping, hence conferring topological properties. In recent years, the time -reversal symmetry turned out to be broken also by light irradiation in so-called Floquet topological insulators (FTIs). On the other hand, Kane and Mele introduced a spin -orbit coupling (SOC) model [C. L. Kane et al., Phys. Rev. Lett. 95, 226801 (2005)] inspired by the Haldane's mechanism. In this paper, we present the topological properties of a FTI possessing SOC, using graphene as the playground. It was found that the interplay between sublattice subspace and the spin one triggers interesting topological phase transitions. Basically, in a FTI with SOC, two topological phases may be excited: charge quantum Hall effect (CQHE) and, respectively, spin quantum Hall effect (SQHE) phases. Also, it was demonstrated that the CQHE and SQHE coexistence is forbidden by the topology of the system. As well, it was identified a special driving regime of spin filter (SF), in which only one spin state is topological and, consequently, will be filtered in quantum transport.