Materials Literature
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We computed the phase-separation behavior and effective interactions of colloid-polymer mixtures in the "protein limit," where the polymer radius of gyration is much larger than the colloid radius. For ideal polymers, the critical colloidal packing fraction tends to zero, whereas for interacting polymers in a good sol…
Experimental and theoretical evidence for a "sigma aromatic" bimetallic cluster is presented. A mass spectrometric analysis of AuNZn+ (N = 2-44) photofragments shows Au5Zn+ to be very abundant, proving its high stability. Calculations predict that Au5Zn+ has a planar geometry and six valence s electrons occupying delo…
The synthesis of the heterocycle-based diethanolaminomethyl-functionalized derivative 1-(pyridin-4-yl)-2-[( N -methylpyrrol-2-yl)-5-methylenediethanolamine]ethene ( 2 ) from (1-pyridin-4-yl)-2-( N -methyl-pyrrol-2-yl)ethene ( 1 ) and their methylpyridinium dyes 1-( N -methylpyridinio)-2-[( N -methylpyrrol-2-yl)-5-meth…
The hydrogen storage capacity of five types of commercially available carbon materials with different nanostructures was measured at up to 8 MPa at room temperature using an apparatus based on a volumetric method with an error of less than 0.04 wt %/gr. The highest storage capacity of 0.43 wt % was obtained for purifi…
Genetic engineering methods were used for the preparation of artificial proteins containing sequences designed to reproduce essential features of the extracellular matrix (ECM). The long-term objective of the work is to develop matrices for use in the engineering of small-diameter vascular grafts. The CS5 domain of fi…
A pressure-induced simultaneous metal-insulator transition (MIT) and structural-phase transformation in lithium hydride with about 1% volume collapse has been predicted by means of the local density approximation (LDA) in conjunction with an all-electron GW approximation method. The LDA wrongly predicts that the MIT o…
Ni/Cu(001) is known as a unique system showing the spin-reorientation transition from an in-plane to out-of-plane magnetization direction when the Ni-overlayer thickness is increased. We investigate different relaxed multilayer structures with a hydrogen adlayer using the full-potential linearized augmented plane-wave…
Femtosecond pump-probe (PP) differential reflectivity spectroscopy (DRS) and four-wave mixing (FWM) experiments were performed simultaneously to study the initial temporal dynamics of the exciton line-shapes in GaN epilayers. Beats between the A-B excitons were found \textit{only for positive time delay} in both PP an…
We present evidence that the insulator-to-metal transition in ${\mathrm{L}\mathrm{a}}_{1\ensuremath{-}x}{\mathrm{C}\mathrm{a}}_{x}{\mathrm{M}\mathrm{n}\mathrm{O}}_{3}$ near $x\ensuremath{\sim}0.2$ is driven by the suppression of coherent Jahn-Teller distortions, originating from $d$-type orbital ordering. The orbital-…
Conserved growth models that exhibit a nonlinear instability in which the height (depth) of isolated pillars (grooves) grows in time are studied by numerical integration and stochastic simulation. When this instability is controlled by the introduction of an infinite series of higher-order nonlinear terms, these model…
Epitaxial films of LaCuOS1−xSex (x=0–1) solid solution were grown on MgO (001) substrates and their electrical and optical properties were examined. Sharp emission due to room-temperature exciton with binding energy of ∼50 meV is observed for all x values. Hall mobility becomes large with an increase in the Se content…
Silver nanoparticles arranged in two-dimensional arrays experience quadrupolar coupling of plasmon resonances when irradiated with visible light. This coupling leads to the formation of the coherent plasmon mode characterized by an intense narrow resonance in the blue spectral range in the extinction spectrum. The cou…
Gold nanoparticles with an average size of ∼5 nm were deposited on the surface of preformed silica submicrospheres with the aid of power ultrasound. The sonochemical reduction was carried out by ultrasonic irradiation in an argon atmosphere at room temperature. Ultrasonic irradiation of a slurry of silica submicrosphe…
It has been shown recently that while bulk gold is chemically inert, small Au clusters are catalytically active. The reasons for this activity and its dramatic dependence on cluster size are not understood. We use density functional theory to study O2 binding to Au clusters and to a Au(111) surface modified by adsorpt…
Ordered mesoporous silica adsorbents were prepared by grafting amino- and carboxylic-containing functional groups onto MCM-41 for the removal of Acid blue 25 and Methylene blue dyes from wastewater. The amino-containing OMS−NH 2 adsorbent has a large adsorption capacity and a strong affinity for the Acid blue 25. It c…
The derivation, implementation, and validation of a method to calculate spin–orbit coupling (SOC) contributions to the hyperfine coupling (HFC) is reported. Due to this development it is now possible to calculate the complete ligand and metal nuclei HFCs at a consistent level of theory, i.e., spin unrestricted Hartree…
The exceptional mechanical and physical properties observed for carbon nanotubes has stimulated the development of nanotube-based composite materials, but critical challenges exist before we can exploit these extraordinary nanoscale properties in a macroscopic composite. At the nanoscale, the structure of the carbon n…
We fabricated ZnO thin-film transistors by rf magnetron sputtering on Si substrates held near room temperature. The best devices had field-effect mobility of more than 2 cm2/V s and an on/off ratio>106. These ZnO films had resistivity ∼105 ohm cm, with high optical transparency (>80% for wavelength &…
Gas-phase reactions of silane (SiH 4 ) and diborane (B 2 H 6 ) are investigated using ab initio calculations at the MP2/6-311++g** level. Initially SiH 4 and B 2 H 6 are only weakly attracted to each other. Under thermal activation, the two molecules can overcome an energy barrier of 33.87 kcal/mol to associate into a…
The synthesis of calcium pyrophosphate, doped with zinc(II) ions at different [Zn]/[Ca] molar ratios, showed that the zinc ions partially substitute Ca 2+ ions. The undoped particles are observed to form small crystals, which become amorphous spherical particles as the zinc content increases.