Materials Literature
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The early interdiffusion stages in epitaxially grown Ag/Au and Cu/Au reaction couples are investigated by high-resolution and Z-contrast electron microscopy. While the interdiffusion in the lattice-matched system Ag/Au follows Fick's diffusion laws from the very beginning, a complex two-stage reaction is observed in t…
We describe a constant-traction molecular dynamics method to perform simulations of a generic atomistic system under an applied external load. The main objective is to ensure consistency between the atomistic model and the macroscopic continuum-mechanics description. Examples of simulations for different kinds of exte…
The high relaxivity of [GdaDO3A]3− (r1p = 12.3 mM−1 s−1, 20 MHz, 298 K, τm = 30 ns) in water is maintained in serum solution because the binding of protein and endogeneous anions, e.g. HCO3−/CO32− is suppressed by electrostatic repulsion.
The photophysical properties of carbazole excimers were investigated using syn - and anti -[3.3](3,9)carbazolophanes: the syn -carbazolophane is a model compound for a fully overlapped carbazole excimer and the anti -carbazolophane for a partially overlapped carbazole excimer the structures of which have been determin…
Four bis(salicylaldiminato)zinc(II) complexes have been synthesized from four Schiff bases obtained by the condensation of chiral (R)-(+)-1-phenylethylamine with salicylaldehyde (1), 5-nitrosalicylaldehyde (2), 3,5-dichlorosalicylaldehyde (3) and 5-methoxysalicylaldehyde (4). The complexes crystallize in the noncentro…
Polyelectrolyte thin films composed of alternating layers were spin-assembled by sequentially dropping cationic and anionic aqueous solutions onto a spinning substrate. In this work, we show the applicability of our technique to multiple systems and present two methods for producing linear film growth. The polycations…
(LaO)CuS with a layered structure is a transparent p-type semiconductor (band $\mathrm{gap}=3.1\mathrm{eV}),$ which gives an excitonic absorption/emission near the band edge even at room temperature. We examined the electronic structure of this material by photoemission and inverse photoemission spectroscopy and consi…
Novel π-conjugated polymer-protected metal (M = Pd, Au, Pt) nanoparticles of narrow size distribution and high dispersity were prepared via reduction of the metal ions by a π-conjugated poly(dithiafulvene) (PDF) having strong electron-donating properties. The oxidized polymer protected the metal nanoparticles as stabl…
Colloidal gold nanoparticles can be isolated from excess citric acid buffer by electrolyte-induced precipitation from water solutions through the addition of oxyanions. This allows the nanomaterials to be isolated as freely soluble powders that can be readily redissolved in water or buffer solution for other applicati…
The use of inorganic salts during the synthesis of mesoporous materials with block copolymers can dramatically widen the syntheses domain (in temperature, surfactant concentration, etc.) and broaden the range of surfactants that can be utilized to produce highly ordered mesostructures.
Femtosecond time-resolved photoemission of photoexcited electrons in highly oriented pyrolytic graphite (HOPG) provides strong evidence for anisotropies of quasiparticle (QP) lifetimes. Indicative of such anisotropies is a pronounced anomaly in the energy dependence of QP lifetimes between 1.1 and 1.5 eV--the vicinity…
Using information from sequence alignments significantly improves protein secondary structure prediction. Typically, more divergent profiles yield better predictions. Recently, various groups have shown that accuracy can be improved significantly by using PSI-BLAST profiles to develop new prediction methods. Here, we…
Stable protein−clay films were fabricated by casting an aqueous dispersion of protein and clay on pyrolytic graphite electrodes. Myoglobin (Mb), hemoglobin (Hb), and horseradish peroxidase (HRP) in clay films gave a pair of well defined, quasi-reversible cyclic voltammetric peaks at about −0.28 V vs SCE in pH 5.5 buff…
Asteroids and comets dissipate energy when they rotate about the axis different from the axis of the maximal moment of inertia. We show that the most efficient internal relaxation happens at the double frequency of body's tumbling. Therefore the earlier estimates that ignore double frequency input underestimate the in…
A nematic liquid-crystal gel is a macroscopically homogeneous elastic medium with the rotational symmetry of a nematic liquid crystal. In this paper, we develop a general approach to the study of these gels that incorporates all underlying symmetries. After reviewing traditional elasticity and clarifying the role of b…
We present a theoretical density functional study of the electronic, magnetic, and transport properties of digital ferromagnetic heterostructures, obtained by delta doping GaAs with Mn. In the absence of intrinsic donors these systems have a half metallic density of states, with an exchange interaction much stronger t…
Efficient and faithful parallel simulation of large asynchronous systems is a challenging computational problem. It requires using the concept of local simulated times and a synchronization scheme. We study the scalability of massively parallel algorithms for discrete-event simulations which employ conservative synchr…
Scanning tunneling microscopy has been used to identify the adsorption site of ${\mathrm{H}}_{2}\mathrm{O}$ on ${\mathrm{TiO}}_{2}(110)\ensuremath{-}(1\ifmmode\times\else\texttimes\fi{}1)$ at 150 K, and to monitor the site of the dissociation products at 290 K. Water adsorbs onto the rows of fivefold coordinated Ti at…
The crystal structure of Fe(3)O(4) below the 122 K Verwey transition has been refined using high-resolution x-ray and neutron powder diffraction data. The refinements give direct evidence for charge ordering (CO) over four independent octahedral Fe sites, two with a charge of +2.4 and the other two of +2.6. CO schemes…
Through an interplay between scanning tunneling microscopy experiments and density functional theory calculations, we determine unambiguously the active surface site responsible for the dissociation of water molecules adsorbed on rutile TiO(2)(110). Oxygen vacancies in the surface layer are shown to dissociate H(2)O t…