Materials Literature
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Abstract The magnetocrystalline anisotropy energy (MAE) of NdCo 5 was studied from first principles using the full potential linearized augmented plane wave (FLAPW) method. The LDA + U method was used to take into account the effects of strong electronic correlations of 4f states. In agreement with experiments, the ma…
Self-compartmentalizing proteases orchestrate protein turnover through an original architecture characterized by a central catalytic chamber. Here we report the first structure of an archaeal member of a new self-compartmentalizing protease family forming a cubic-shaped octamer with D(4) symmetry and referred to as Cu…
Here we present results for single crystals of manganese phosphide (MnP), a material exhibiting a first-order ferromagnetic to paramagnetic transition at a Curie temperature of 290 K. MnP has a saturation field of about 7.5 kOe along the c-axis. Along this easy magnetic axis, ΔS was measured to be 2.2, 3.3, and 6.0 J/…
A new process for feltproofing of wool fibers based on the biopolymer sericin is reported. The susceptibility of wool to sericin has been enhanced by creation of new active sites along the wool keratin molecules, such as cysteic acid and S-cystine sulphonate residues, by pretreatment with hydrogen peroxide and sodium…
The thermodynamic mixing properties of a binary $({\text{A}}_{x}{\text{B}}_{1\ensuremath{-}x})R$ solid solution are evaluated from the enthalpies of supercell structures ${\text{A}}_{m\ensuremath{-}2}{\text{B}}_{2}{R}_{m}$ and ${\text{B}}_{m\ensuremath{-}2}{\text{A}}_{2}{R}_{m}$, where $m$ is the number of the exchang…
Structured polymer brushes are readily prepared by AFM lithography and show improved mechanical properties over structured polymer films obtained on spin-coated films by using the same method. The figure shows an array of 200-nm-diameter pillars obtained on a 30-nm-thick polystyrene brush by cross writing of single sc…
We report on the mechanism of growth of mesoporous silica (SBA-15, plane group p6m). In situ studies of the formation using ultrasmall angle X-ray scattering (USAXS) and small-angle X-ray scattering (SAXS) covering length scales from 5 to 10,000 A, complemented with UV-vis and transmission electron microscopy (TEM), p…
Periodic density functional calculations within the LDA+U and GGA+U formalisms have been carried for slabs representing the CeO 2 (111) surface and a stepped model surface. The surface active sites have been determined and the chemical bond between Au and the underlying substrate quantified by means of analysis of Bad…
High-quality tetrapod-shaped ZnO (T-ZnO) nanostructures were synthesized through the direct reaction of Zn and zinc acetate (ZAc) via a thermal evaporation method in Ar at 650 °C without any catalyst. Controlling the experimental parameters showed that ZAc precusor plays an important self-catalytic role in the vapor t…
A comparative analysis of Raman spectra from polydomain ${\text{PbTiO}}_{3}$ thin films with both polydomain and single-domain ${\text{PbTiO}}_{3}$ crystals is presented. The Raman signature of ferroelectric thin films is complex when used for stress analysis. Raman spectroscopy of a stress-free polydomain ${\text{PbT…
Reliable material models for concrete behaviour at higher strain rates are necessary for the design and assessment of concrete structures subject to impact and blast. This information should be obtained from experiments performed on large-size concrete specimens (up to 200 mm side cubes) with aggregates of realistic m…
Eu(S-THP)(3+) is the first PARACEST agent that functions through exchange of hydroxyl protons with water protons in aqueous solution. The CEST spectrum of this complex is strongly pH dependent and modulated by the presence of phosphate esters, as shown for diethyl phosphate and methyl phosphate, which form outer- and…
A mechanism of stimulated emission of electromagnetic radiation by an electron beam in carbon nanotubes is theoretically considered. Three basic properties of carbon nanotubes: a strong slowing down of surface electromagnetic waves, ballisticity of the electron motion over typical nanotube length, and extremely high e…
The electrical transport and thermoelectric properties of ${\text{K}}_{x}{\text{Sr}}_{1\ensuremath{-}x}{\text{Fe}}_{2}{\text{As}}_{2}$ are investigated for $0\ensuremath{\le}x\ensuremath{\le}1$. The resistivity $\ensuremath{\rho}(T)$ shows a crossover from Fermi-liquid-like temperature dependence at small $x$ to linea…
Facile photocatalytic emulsion polymerization was developed to fabricate polystyrene (PS) microspheres using a transparent anatase titania hydrosol both as a photocatalyst and stabilizer. Under the appropriate conditions, PS microspheres with a well-defined particle size distribution can be easily produced from 100 to…
Direct room temperature synthesis of ultrasmall (2.5 ± 0.2 nm), water dispersible ceria nanoparticles are reported for the first time. Nanoparticles were synthesized directly in ethylenediamine that served as a catalyst as well as capping agent. Larger particles could be obtained by solvothermal synthesis keeping othe…
The mechanisms for hydrogen-atom transfer from the cyanoisopropyl radical (*)C(CH(3))(2)CN to [Co(II)(por)](*) (yielding [Co(III)(H)(por)] and CH(2)=C(CH(3))(CN); por = porphyrinato) and the insertion of vinyl acetate (CH(2)=CHOAc) into the Co-H bond of [Co(H)(por)] (giving [Co(III){CH(OAc)CH(3)}(por)]) were investiga…
We develop a simplified one-dimensional model to describe the build-up of exponentially growing polyelectrolyte multilayer films. The model accounts for the migration of polycations in and out of the film, the existence of an energetic barrier at the film surface, and film dissolution. All the electrostatic interactio…
The effect of extract of brown alga Bifurcaria bifurcata (Bb) on the corrosion of steel in 1 M HCl solution was studied using weight loss, potentiodynamic, and polarization resistance measurements. Experimental data revealed that Bb extract acted as an inhibitor in the acid environment. The extract was a mixed-type in…
An optimized graded-refractive-index (GRIN) antireflection (AR) coating with broadband and omnidirectional characteristics--as desired for solar cell applications--designed by a genetic algorithm is presented. The optimized three-layer GRIN AR coating consists of a dense TiO2 and two nanoporous SiO2 layers fabricated…