Local structure of core/shell nanocrystalline particles produced by surfactant-assisted ball milling of Fe powder in paraffin

Surfactant-assisted ball milling of the Fe powder in paraffin has been used for fabrication of core–shell nanocrystalline particles. The local atomic structure of the bulk and surface layers of the mechanically milled particles has been studied using X-ray absorption spectroscopic techniques with synchrotron radiation from the DORIS storage ring at DESY, Hamburg. Regardless of milling environment composition, the as-prepared powders were shown to be characterized by a significant drop in the EXAFS signal intensity and coordination numbers of the Fe–Fe pairs due to the formation of nanocrystalline state in the particles. It has been shown that an addition of perfluorononanoic acid as a surfactant has a more prominent effect on the structure of the shell layers. The effect is revealed as an appearance of light element atoms (O, F, C) in the local atomic environment of the Fe atoms due to formation of oxide, carbide and adsorbed structures of different types in the particle shell.     

Surface oxidability of pure liquid metals and alloys

The analysis of the oxygen-liquid metal interaction is a topic of particular technological interest. A deep knowledge of the kinetics and transport mechanisms involved in the oxidation phenomena is necessary: the effect of oxidation reactions taking place in the gas phase and the evaporation of oxides must be considered.This paper aims to review our works in order to provide a systematic analysis of the oxidation of pure metals and determine the most likely to keeping oxygen-free the surface in a binary alloy.In addition, the upgrading of this theoretical approach, here briefly described, is addressed to give a contribution to a better understanding of the evolution of oxidation phenomena close to the solid-liquid-gas interfaces.     

Single versus poly-crystalline layered oxide cathode materials for solid-state battery applications - a short review article

The recent developments in the application of single-crystalline (SC) cathode materials in solid-state batteries are discussed in this mini-review. The characteristics of SC and poly-crystalline (PC) cathode materials are explored, with emphasis on the kinetic and mechanical properties. The critical factors influencing their performance in liquid electrolyte and solid-state battery cells are investigated. Finally, the advantages and disadvantages of both morphologies are discussed and considerations to ensure a fair comparison between SC and PC cathodes in different systems are raised.     

State-of-the-art colloidal particles and unique interfaces-based SARS-CoV-2 detection methods and COVID-19 diagnosis

In March 2020, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)-based infections were declared ‘COVID-19 pandemic’ by the World Health Organization. Pandemic raised the necessity to design and develop genuine and sensitive tests for precise specific SARS-CoV-2 infections detection. Nanotechnological methods offer new ways to fight COVID-19. Nanomaterials are ideal for unique sensor platforms because of their chemically versatile properties and they are easy to manufacture. In this context, selected examples for integrating nanomaterials and distinct biosensor platforms are given to detect SARS-CoV-2 biological materials and COVID-19 biomarkers, giving researchers and scientists more goals and a better forecast to design more relevant and novel sensor arrays for COVID-19 diagnosis.     

Carbon–metal interfaces analyzed by aberration-corrected TEM: How copper and nickel nanoparticles interact with MWCNTs

Experimental confirmation for the stronger interaction of Ni with multi-walled carbon nanotubes (MWCNTs) compared to Cu with MWCNTs is presented. The interfaces between Cu (Ni) nanoparticles side-on oriented onto MWCNTs are analyzed with high spatial resolution electron energy-loss spectroscopy (EELS) of the carbon K-edge. The EEL spectra reveal a rehybridization from sp² to sp³ hybridized carbon of the outermost MWCNT layer at the Ni interface, but no such rehybridization can be observed at the Cu interface. The EELS results are supported by transmission electron microscopy (TEM) images, which show a better wetting behavior of Ni and a smaller gap at the Ni–MWCNT interface, as compared to the corresponding Cu interfaces. The different behavior of Cu and Ni can be explained in terms of differing valence d-orbital occupancy. For the successful experimental demonstration of this effect the use of a soft chemical metal deposition technique is crucial.     

Dielectric properties of tetragonal tungsten bronze films deposited by RF magnetron sputtering

Tetragonal tungsten bronze (TTB) films have been synthesised on Pt(111)/TiO₂/SiO₂/Si substrates from Ba₂LnFeNb₄O₁₅ ceramics (Ln = La, Nd, Eu) by RF magnetron sputtering. X-ray diffraction measurements evidenced the multi-oriented nature of films with some degrees of preferential orientation along (111). The dependence of the dielectric properties on temperature and frequency has been investigated. The dielectric properties of the films are similar to those of the bulk, i.e., ε ∼150 and σ ∼10⁻⁶ Ω⁻¹ cm⁻¹ at 1 MHz and room temperature. The films exhibit two dielectric anomalies which are attributed to Maxwell Wagner polarization mechanism and relaxor behaviour. Both anomalies are sensitive to post-annealing under oxygen atmosphere and their activation energies are similar E_a ∼0.30 eV. They are explained in terms of electrically heterogeneous contributions in the films.     

Cation−π interactions in high resolution protein−RNA complex crystal structures

In this work, we have analyzed the influence of cation–π interactions to the stability of 59 high resolution protein–RNA complex crystal structures. The total number of Lys and Arg are similar in the dataset as well as the number of their interactions. On the other hand, the aromatic chains of purines are exhibiting more cation–π interactions than pyrimidines. 35% of the total interactions in the dataset are involved in the formation of multiple cation–π interactions. The multiple cation–π interactions have been conserved more than the single interactions. The analysis of the geometry of the cation–π interactions has revealed that the average distance (d) value falls into distinct ranges corresponding to the multiple (4.28 Å) and single (5.50 Å) cation–π interactions. The G–Arg pair has the strongest interaction energy of −3.68 kcal mol⁻¹ among all the possible pairs of amino acids and bases. Further, we found that the cation–π interactions due to five-membered rings of A and G are stronger than that with the atoms in six-membered rings. 8.7% stabilizing residues are involved in building cation–π interactions with the nucleic bases. There are three types of structural motifs significantly over-represented in protein–RNA interfaces: beta-turn-ir, niche-4r and st-staple. Tetraloops and kink-turns are the most abundant RNA motifs in protein–RNA interfaces. Amino acids deployed in the protein–RNA interfaces are deposited in helices, sheets and coils. Arg and Lys, involved in cation–π interactions, prefer to be in the solvent exposed surface. The results from this study might be used for structure–based prediction and as scaffolds for future protein–RNA complex design.     

Effect of Cr on the wetting in Cu/graphite system

The isotherm wetting and spreading behaviors of the molten Cu-Cr alloys with 0.5, 1.0 and 2.0 at.% Cr on porous graphite substrates were investigated at 1373 K in a flowing Ar atmosphere using a modified sessile drop method. The wettability improves with increasing Cr content in the alloy as a result of phase transition from Cr₃C₂ to more wettable and metallic-like Cr₇C₃ developed at the interface. The spreading kinetics are controlled by the interfacial reaction in the early stage and the diffusion of Cr from the drop bulk to the triple junction in the later stage together with a transition in the intermediate stage.     

The effect of oxygen exposure on pentacene electronic structure

We use ultraviolet photoelectron spectroscopy to investigate the effect of oxygen and air exposure on the electronic structure of pentacene single crystals and thin films. It is found that O₂ and water do not react noticeably with pentacene, whereas singlet oxygen/ozone readily oxidize the organic compound. Also, we obtain no evidence for considerable p-type doping of pentacene by O₂ at low pressure. However, oxygen exposure lowers the hole injection barrier at the interface between Au and pentacene by 0.25 eV, presumably due to a modification of the Au surface properties.     

Electronic structure of Ru impurities in iron

The molecular cluster discrete variational method has been employed to study the magnetic properties of Ru impurities and Ru monolayers in iron. With the introduction of Ru atoms in the neighborhood of an Fe atom the local moment changes appreciably and the magnetization decreases steadily. By increasing Ru concentration both ferromagnetic and antiferromagnetic Fe–Ru couplings can be expected in dilute alloys. The calculations indicate that the contact hyperfine fields of Fe atoms are strongly dependent on the chemical environment as well as on the local symmetry.