Materials Literature
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An approach is presented to calculate characteristic current vs voltage curves for isolated molecules without explicit description of leads. The Hamiltonian for current-carrying molecules is defined by making resort to Lagrange multipliers, while the potential drop needed to sustain the current is calculated from the…
We have performed both in-plane resistivity, Hall effect, and specific heat measurements on the thermoelectric cobalt oxide ${\mathrm{Ca}}_{3}{\mathrm{Co}}_{4}{\mathrm{O}}_{9}$. Four distinct transport regimes are found as a function of temperature, corresponding to a low temperature insulating one up to ${T}_{\mathit…
A change for the wetter: The effect of temperature T on the position of a sterically stabilized polystyrene latex particle adsorbed at an oil–water interface is described. Emulsions stabilized by such particle monolayers are oil-in-water at low T and water-in-oil at high T (see scheme). The results are also in line wi…
The fabrication and notably improved performance of composite electrodes based on modified self-assembled diphenylalanine peptide nanotubes is described. Peptide nanotubes were attached to gold electrodes, and we studied the resulting electrochemical behavior using cyclic voltammetry and chronoamperometry. The peptide…
Beneficial defects: Reactive η1-superoxide and peroxide species at one-electron defect sites are formed at the metal–support interface in gold nanoclusters on nanocrystalline CeO2−x. These intermediates oxidize CO adsorbed on gold to form CO2. The reactive oxygen species are formed on nanocrystalline CeO2−x (see pictu…
Nanoengineered fluorescent response is reported from semiconductor core-shell (CdSe/ZnS) quantum dots in proximity to the surface plasmon polariton field of periodic Ag nanoparticle arrays. Tuning the surface plasmon polariton resonance to the quantum dot exciton emission band results in an enhancement of up to approx…
A new type of multifunctional polymeric micelle drug carrier for active intracellular drug delivery was prepared and characterized in this study. The micelle is a nano-supramolecular assembly with a spherical core-shell structure, and its surface and core were modified with piloting molecules for cancer cells and pH-s…
The key methods for the preparation of magnetic nanoparticles are described systematically. The experimental data on their properties are analysed and generalised. The main theoretical views on the magnetism of nanoparticles are considered.
BST nanoparticles were directly synthesized from solution at 70 degrees C and then wrapped with zinc doped MgO in solution. This core-shell structure was analyzed by a conjunction of XRD, HRTEM, and FE-SEM. The lattice cell parameter of BST core was found to have shrinkage. The lattice cell mismatch between core and s…
We demonstrate metal-defined electro-optic polymer phase modulators for the first time. A metal strip patterned on top of a three-layer slab waveguide causes a strain-induced refractive index change, resulting in lateral optical mode confinement within the core layer. The strain profile, refractive indexes, and optica…
We carry out first-principles density-functional calculations to investigate the electronic structure of the gold-carbon nanotube contact. It is found that a pressure applied on the gold-nanotube contact shifts the Fermi level from the valence edge to the conduction edge of the carbon nanotube. This can explain the n-…
Abstract Nanocomposites of polypropylene‐based RTPO with organically modified clays were prepared by melt compounding of three components, that is, polypropylene‐based RTPO, maleic anhydride‐grafted polypropylene oligomer (PP g MA), and organically modified clay. Their morphologies, tensile behaviors, and flammability…
Escherichia coli thioredoxin is a small monomeric protein that reduces disulfide bonds in cytoplasmic proteins. Two cysteine residues present in a conserved CGPC motif are essential for this activity. Recently, we identified mutations of this motif that changed thioredoxin into a homodimer bridged by a [2Fe-2S] iron-s…
We study a kinetically constrained lattice glass model in which continuous local densities are randomly redistributed on neighboring sites with a kinetic constraint that inhibits the process at high densities, and a random bias accounting for attractive or repulsive interactions. The full steady-state distribution can…
High-resolution ellipsometry and neutron diffraction measurements have been used to investigate the structure, growth, and wetting behavior of fluid pentane (n-C(5)H(12)) films adsorbed on graphite substrates. We present isotherms of the thickness of pentane films adsorbed on the basal-plane surfaces of a pyrolytic gr…
We present theoretical studies based on first-principles density functional theory calculations on the mechanisms of chemical vapor deposition of Cu-hexafluoracetylacetonato-trimethylvinylsilane (Cu(hfac)(tmvs)) on tantalum surfaces. This process has been used in the past to grow copper films via a disproportionation…
Abstract The effect of the branch content (BC) and composition distribution (CD) of linear low‐density polyethylene (LLDPE) on the thermal and mechanical properties of its blends with LDPE were studied. All blends and pure resins were conditioned in a Haake PolyDrive blender at 190°C and in the presence of adequate am…
Solid-state reactions of lanthanide(III) oxide (and lanthanide(III) oxyhalide), transition metal halide (and transition metal oxide), and TeO(2) at high temperature lead to six new lanthanide transition metal tellurium(IV) oxyhalides with three different types of structures, namely, DyCuTe(2)O(6)Cl, ErCuTe(2)O(6)Cl, E…
The influence of blending polyhedral oligomeric silsesquioxane substituted with cyclopentyl rings (CpPOSS) into a polyethylene (PE) matrix was probed using atomistic simulations. Composites of 5, 15, and 25 wt % CpPOSS were simulated. Interactions between POSS particles were found to promote organization of POSS withi…
The interaction of Ar atoms with the relaxed and defect-free $\mathrm{Ti}{\mathrm{O}}_{2}(110)$ surface was investigated by means of density functional theory within the GGA/PW91 exchange-correlation functional. A periodic three-dimensional slab plus vacuum width was used to model both the clean and Ar covered rutile…