Materials Literature
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Within a self-consistent Born approximation, the Hall conductivity of a two-dimensional graphite system in the presence of a magnetic field is studied by quantum transport theory. The Hall conductivity is calculated for short- and long-range scatterers. It is calculated analytically in the limit of strong magnetic fie…
The structure/bonding relationship in a series of intermetallic phases of Li with Al, Ga, and In was investigated by density functional theory and complemented by a model based on tight-binding theory and the method of moments. The combination of these two approaches provides a simple scheme which allows for both a co…
Abstract In this study, we examine the effects of heating, nucleation, cooling, and reheating on the thermal properties and structure of metallocene isotactic polypropylene (m‐iPP) that had been prepared initially in a standard state containing nearly equal amounts of the crystallographic α and γ phases. Heat treatmen…
Abstract In this study, three chromophores— p ‐nitroaniline, 4‐(4‐nitrophenylazo)aniline, and 4‐[( E )‐2‐{4‐[( E )‐2‐(4‐nitrophenyl)‐1‐diazenyl]phenyl}‐1‐diazenyl]aniline—were intercalated into layered aluminosilicate saponite and then dispersed into the polyurethanes matrix. The intercalated chromophore/saponite comp…
Abstract The phase behavior of a partially miscible blend of poly(ethylene oxide) (PEO) and cellulose acetate butyrate (CAB) and the crystalline microstructure of PEO in the blend were studied with differential scanning calorimetry (DSC), optical microscopy, and synchrotron small‐angle X‐ray scattering (SAXS) methods.…
The local structure of trace amounts of lead in an adsorbent matrix that contains a high concentration of iron and magnesium (Mg6Fe2(OH)16(CO3) x 3H2O) was successfully monitored by means of X-ray absorption fine structure spectroscopy combined with fluorescence spectrometry. A eutectic mixture of PbCO3 and Pb(OH)2 co…
A difference of two electrons: A tetranuclear cluster [MnIIMnIIMnIIMnIV(O)(pko)4(3,4-D)4]⋅2.5 CH3OH (Hpko=di(2-pyridyl)ketonoxime, H-3,4-D=3,4-dichlorophenoxy acetic acid) with a (μ4-O)Mn4 bridging moiety is reported (see core structure). This compound is the only example of a manganese cluster with a 2 e− difference…
A difference of two electrons: A tetranuclear cluster [MnIIMnIIMnIIMnIV(O)(pko)4(3,4-D)4]⋅2.5 CH3OH (Hpko=di(2-pyridyl)ketonoxime, H-3,4-D=3,4-dichlorophenoxy acetic acid) with a (μ4-O)Mn4 bridging moiety is reported (see core structure). This compound is the only example of a manganese cluster with a 2 e− difference…
An effective Hamiltonian ${H}_{\mathrm{eff}}$ is constructed for ${\mathrm{PbZr}}_{0.95}{\mathrm{Ti}}_{0.05}{\mathrm{O}}_{3}.$ It is parametrized using primarily ab initio results computed in the virtual-crystal approximation. The phase diagram depends sensitively on the energetic competition between the stable orthor…
No racemization occurs in the first reported enantioselective photochromic reaction. Upon irradiation with UV light, a single enantiomer of [2.2]metacyclophane-1-ene 1 a undergoes photocyclization to give a single enantiomer of tetrahydropyrene 1 b. Upon irradiation with visible light, 1 b is converted back cleanly in…
TiO2 in besonderem Licht: Die bemerkenswerten photochemischen Eigenschaften von TiO2 ermöglichen die einfache und präzise schrittweise Musterbildung kolloidaler Kristallfilme. Durch Bestrahlen wird auf einer TiO2-Oberfläche ein Muster aus hydrophoben und hydrophilen Stellen erzeugt; anschließend wird ein Film von mono…
The potential energy diagram for the NO+CO reaction on 1, 2, and 3 monolayer (ML) Pd films supported by MgO(100) is calculated using density functional theory. Thin Pd films are generally found to be more reactive than thick films, with a notable exception for nitrogen adsorption on 2 ML Pd/MgO(100). For this system a…
The title compound was synthesized by slow diffusion of aqueous solutions containing K4[Mo(CN)7].2H2O, [Mn(H2O)6](NO3)2, and [N(CH3)4]Cl. The compound crystallized in monoclinic space group C2/c, a = 25.8546(14), b = 12.3906(7), c = 13.5382(7) A, beta = 116.4170 (10) degrees, Z = 4, R = 0.0353, wR2 = 0.0456. The MoIII…
The adsorption of nitric oxide (NO) on a Cu(100) surface at 25 K has been studied using infrared reflection absorption spectroscopy (IRAS). Initially, NO adsorbs at the bridge site; however, with an increase in coverage, dimerization of NO occurs. Further dosing of NO at 25 K produces a multilayer of the NO dimer. Ann…
Easily synthesised and a candidates for organic electronic devices are the azaaromatic esters 1 (with R=alkyl). These materials show a columnar plastic crystalline phase at room temperature, in which the columns align perpendicular to a supporting electrode surface, and they exhibit π-orbital energy values that are ve…
The propensity of solid state polytelluride compounds to form structures with extended square nets of tellurium and the physicochemical properties of these nets is discussed in view of recent results showing that these square nets of tellurium are in fact average structures. The real structures are strongly modulated,…
Caged reagents are photoactivatable molecules with applications in biological research. While a great deal of work has been carried out on small caged molecules, less has been done on caged macromolecules, such as proteins. Caged proteins would be especially useful in signal transduction research. Since most proteins…
We report a trinuclear Co(II) complex containing bridging dicyanamides and a tris-chelated HAT, which possesses approximately 37% void space. The magnetic exchange pathways appear in the structure as a corner sharing tetrahedral network. The compound crystallizes in the monoclinic space group P2(1)/c [a = 13.655(3) A,…
Analysis of correlation between growth rates and interfacial structure of a crystal is the key to understanding the growth behavior of crystal faces. The subject of this paper is research on the morphological importance of crystal faces in connection with their growth rates and crystallographic structure of the crysta…
Poly(3-hydroxybutyrate-co-3-hydroxyoctanoate), PHBO, represents a class of PHA copolymers that contain both short-chain-length and medium-chain-length repeat units. Radiolabeled and cold PHBO, containing 90 mol % 3-hydroxybutyrate and 10 mol % 3-hydroxyoctanoate were chemically synthesized using a new difunctional alk…