Materials Literature
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We study the dynamics of a 2d driven inelastic gas, by means of Direct Simulation Monte Carlo (DSMC) techniques, i.e. under the assumption of Molecular Chaos. Under the effect of a uniform stochastic driving in the form of a white noise plus a friction term, the gas is kept in a non-equilibrium Steady State characteri…
Single-phase polycrystalline La2MnVO6 samples were synthesized by arc melting and characterized by X-ray diffraction, magnetization and resistivity measurements. We find that the compound has cubic (space group), partly ordered double perovskite structure. The sample exhibits ferrimagnetic behavior and variable-range…
The synthesis of nickel nanoparticles by the reduction of nickel chloride with hydrazine in an aqueous solution of cationic surfactants CTAB/TC12AB was studied. It was found that an appropriate amount of NaOH, trace acetone, and an elevated temperature were necessary for the formation of pure nickel nanoparticles. Als…
We show that density functional theory calculations have reached an accuracy and speed making it possible to use them in conjunction with an evolutionary algorithm to search for materials with specific properties. The approach is illustrated by finding the most stable four component alloys out of the 192 016 possible…
Co 50 /( SiO 2 ) 50 nanoparticles were synthesized by a wet chemical method, and their microwave permeability was measured in the 0.1–18 GHz range. The synthesized nanoparticles exhibit two loss peaks at microwave frequencies: one appears around 7.0 GHz and is believed to result from the eddy current effect, the other…
UreE, a urease accessory protein, is proposed to be a metallochaperone assisting the nickel incorporation into the urease active site. We investigated the effects of salt and nickel on the conformational stability of the UreE from Bacillus pasteurii (BpUreE), by circular dichroism (CD) and nuclear magnetic resonance s…
Two relaxation processes, involving dc conductivity and the glass (α) structural relaxation, respectively, were measured in the low-molecular-weight glass-forming liquid, bisphenol- A-propoxylate(1 PO/phenol)diglycidylether, by dielectric spectroscopy, as a function of temperature and pressure. We focused on the corre…
Cationic alkyl/arylphosphonium meso -tetratolylporphyrins aggregate in an aqueous solution to form H-aggregates, J-aggregates, and long-range assemblies. The ratio between the monomer and various types of aggregates can be controlled by the substitution in the phosphonium units and by the ionic strength. A trimethylph…
Chaperones are small molecules that assist in the folding of naturally occurring peptides. There are no examples of small molecules acting as chaperones in the self-assembly of synthetic noncovalent assemblies. In this communication we describe an unprecedented example of the "chaperone effect" in the noncovalent synt…
The photoluminescence (PL) properties of silanone, =Si=O, and dioxasilyrane, =Si(O2), in substoichiometric silicon oxide layers have been investigated by high-level ab initio calculations. The calculated 2.3 and 1.6 eV PL energies are evidenced to correspond to transitions from two lowest excited singlet states in sil…
Polymer blends are formulated by mixing polymers with different chemical structures to create new materials with properties intermediate between those of the individual components. While Flory–Huggins (FH) theory explains some basic trends in blend miscibility, the theory completely neglects the dissimilarity in monom…
Multilayer ultrathin films composed of nitro-containing diazoresin (NDR) as polycation and poly(amidoamine) dendrimers with carboxyl terminal groups (PAMAMC) ( G = 1.5, 2.5, 3.5, and 4.5) as polyanion were fabricated on mica by electrostatic layer-by-layer deposition. Subsequent UV irradiation converted the interlayer…
We use density functional theory to investigate Pt growth on SrTiO3(100) surfaces. We have determined the favored monolayer arrangement for Pt on both terminations of SrTiO3(100). The work of separation as a function of the number of monolayers of Pt has been determined for Pt films of up to 5 monolayers. To examine w…
We propose a scaling of an intrinsic molecular chirality index calculated from atomic positions. Its application to the design of chiral molecules through a consideration of atomic or group chiral indices is discussed for a range of molecules from small molecules to liquid crystal molecules. It is found to indicate th…
A viable colloid chemical preparation technique provided a series of low-loaded palladium-montmorillonite catalysts with cubooctahedral Pd particles ranging in size from 1.5 to 6.2 nm in mean diameter. These catalysts were used to test the structure sensitivity of the liquid-phase hydrogenation of styrene to ethylbenz…
A systematic study on the synthesis, characterization, degradation, and drug release of d-, l-, and dl-poly(lactic acid) (PLA)-terminated poly(sebacic acid) (PSA) and their stereocomplexes is reported. PLA-terminated sebacic acid polymers were synthesized by melt condensation of the acetate anhydride derivatives of PL…
Discontinuous molecular dynamics simulations of a model polymer have been conducted to investigate the glass transition of ultrathin films and the mechanical properties of nanoscopic structures. Continuum mechanics models have been applied to interpret simulation data and extract apparent Young’s Moduli. Consistent wi…
The effect of pressure on the dielectric relaxation of two polyhydroxy alcohols is examined by analysis of existing data on glycerol, together with new measurements on xylitol. The fragility, or Tg-normalized temperature dependence, changes with pressure for low pressures, but becomes invariant above 1 GPa. When compa…
A multi-quantum wire laser operating in the 1-D ground state has been achieved in a very high uniformity structure that shows free exciton emission with unprecedented narrow width and low lasing threshold. Under optical pumping the spontaneous emission evolves from a sharp free exciton peak to a red-shifted broad band…
In this paper, the interaction between cobalt oxides (Co 3 O 4 and CoO) and methanol is studied. CoO was obtained by heating under high-vacuum (HV) conditions and characterized by X-ray photoelectron spectroscopy (XPS). The Co 3 O 4 powder sample was characterized by means of XPS, diffuse reflectance infrared Fourier…