Materials Literature
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Disks of pure Cu and several Cu–Al alloys were processed by high-pressure torsion (HPT) at room temperature through different numbers of turns to systematically investigate the influence of the stacking fault energy (SFE) on the evolution of microstructural homogeneity. The results show there is initially an inhomogen…
We report in this article a comprehensive investigation of the viscoelastic behavior of different natural colloidal clay minerals in aqueous solution. Rheological experiments were carried out under both dynamic and steady-state conditions, allowing us to derive the elasticity and yield stress. Both parameters can be r…
Water-processable nanoparticle dispersions of semiconducting polymers offer an attractive approach to the fabrication of organic electronic devices since they offer: (1) control of nanoscale morphology and (2) environmentally friendly fabrication. Although the nature of phase segregation in these polymer nanoparticles…
In the cone conformation calix[4]arenes possess lower-rim polyphenolic pockets that are ideal for the complexation of various transition-metal centres. Reaction of these molecules with manganese salts in the presence of an appropriate base (and in some cases co-ligand) results in the formation of a family of calixaren…
Lactose permease of Escherichia coli (LacY) with a single-Cys residue in place of A122 (helix IV) transports galactopyranosides and is specifically inactivated by methanethiosulfonyl-galactopyranosides (MTS-gal), which behave as unique suicide substrates. In order to study the mechanism of inactivation more precisely,…
The formation energies and charge states of point defects in uranium dioxide are calculated from first principles, using the local hybrid functional for correlated electrons, which offers a nice alternative to LDA$+$U calculations. The possible occurrence of multiple minima in such calculations is carefully taken into…
Abstract Two new triptycene‐containing bis(ether amine)s, 1,4‐bis(4‐aminophenoxy)triptycene ( 4 ) and 1,4‐bis(4‐amino‐2‐trifluoromethylphenoxy)triptycene ( 6 ), were synthesized, respectively, from the nucleophilic chloro‐displacement reactions of p ‐chloronitrobenzene and 2‐chloro‐5‐nitrobenzotrifluoride with 1,4‐dih…
We have studied the structural, energetic, and electronic properties of crystalline cellulose I using first-principles density functional theory (DFT) with semiempirical dispersion corrections. The predicted crystal structures of both Iα and Iβ phases agree well with experiments and are greatly improved over those pre…
A first-principles density functional theory--generalized gradient approximation DFT-GGA$+$$U$ study of the doping of bulk GaN and its surface with Cr, Mn, and Fe confirms a strong tendency of these magnetic ions, occupying Ga sites of the wurtzite and zinc blende phases of GaN, to form embedded clusters. Our study re…
We have measured the bias voltage and field dependence of eigenmode frequencies in a magnetic tunnel junction with MgO barrier. We show that both free layer (FL) and reference layer (RL) modes are excited, and that a cross-over between these modes is observed by varying external field and bias voltage. The bias voltag…
We analyze theoretically magnetoresistance of high mobility two-dimensional electron systems being illuminated by multiple radiation sources. In particular, we study the influence on the striking effect of microwave-induced resistance oscillations. We consider moderate radiation intensities without reaching the zero r…
Using first-principles calculations, we show that Fe${}_{2}$VAl is an indirect band-gap semiconductor. Our calculations reveal that its semimetallic character (which is sometimes assigned) is not an intrinsic property but originates from magnetic antisite defects and site disorder, which introduce localized in-gap and…
Here we report organic light-emitting diodes incorporating linear and cyclic porphyrin hexamers which have red-shifted emission (λ(PL) = 873 and 920 nm, respectively) compared to single porphyrin rings as a consequence of their extended π-conjugation. We studied the photoluminescence and electroluminescence of blends…
The complex physiopathological events occurring after spinal cord injury (SCI) make this devastating trauma still incurable. Self-assembling peptides (SAPs) are nanomaterials displaying some appealing properties for application in regenerative medicine because they mimic the structure of the extra-cellular matrix (ECM…
Hexagonal hierarchical microtubular structures are produced by diphenylalanine self-assembly and the ratio of the relative humidity in the growth chamber to the diphenylalanine concentration (defined as the RH-FF ratio) determines the microtubular morphology. The hexagonal arrangement of the diphenylalanine molecules…
The temperature evolution of the crystal and magnetic structures of the ferroelectric sulfide AgCrS${}_{2}$ has been investigated by means of neutron scattering. AgCrS${}_{2}$ undergoes at ${T}_{N}=41.6$ K a first-order phase transition, from a paramagnetic rhombohedral $R$3$m$ structure to an antiferromagnetic monocl…
InMnO$_3$ is a peculiar member of the hexagonal manganites h-RMnO$_3$ (where R is a rare earth metal element), showing crystalline, electronic and magnetic properties at variance with the other compounds of the family. We have studied high quality samples synthesized at high pressure and temperature by powder neutron…
In this investigation, the size-scale in mechanical properties of individual [0001] ZnO nanowires and the correlation with atomic-scale arrangements were explored via in situ high-resolution transmission electron microscopy (TEM) equipped with atomic force microscopy (AFM) and nanoindentation (NI) systems. The Young's…
We report on the inelastic neutron scattering measurements aimed at investigating the origin of temperature-induced paramagnetism in narrow-gap semiconductor FeSb${}_{2}$. We find that inelastic response for energies up to 60 meV and at temperatures $\ensuremath{\approx}$$4.2$, $\ensuremath{\approx}$$300$, and $\ensur…
Silver nanoparticles (AgNPs) are now widely used in antibacterial and personal care products. However, the underlying physicochemical mechanisms leading to the toxicity of AgNPs are still under debate. The present study revealed the different effects of three surface coatings (including lactate, polyvinylpyrrolidone,…