Materials Literature
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Ca 2p-3d resonant photoemission spectroscopy of a Cd6Ca crystalline approximant unambiguously demonstrates that the low-lying unoccupied 3d levels of calcium are lowered below the Fermi energy by the formation of the approximant, as suggested from electronic structure calculations [Phys. Rev. Lett. 87, 206408 (2001)]]…
Abstract Mn 2 (OH) 2 SO 4 , obtained as pink prismatic crystals by the hydrothermal reaction of MnSO 4 ·H 2 O and NaOH at 240 °C for 24 h, consists of layers of Mn hydroxide connected to each other through µ 6 ‐sulfate ions. Each layer exhibits vacancies, and each vacant space is capped at the top and bottom by the su…
Abstract A de‐ tert ‐butylated calix[6]arene (A 6 L 6 ) fitted with six ether‐amide pendant arms was synthesized and characterized in solution. NMR spectroscopic data point to the six phenoxide units adopting an average D 6 h conformation on the NMR time scale. According to MM3 molecular mechanics, and MOPAC quantum m…
Abstract A new building block for molecule‐based magnetic materials — thiazole‐substituted nitronyl nitroxide NIT2‐thz [ 1 , NIT2‐thz = 4,4,5,5‐tetramethyl‐2‐(2′‐ thiazolyl)imidazolin‐1‐oxyl 3‐oxide] and its copper( II ) complexes [Cu(NIT2‐thz) 2 (N 3 ) 2 ] ( 2 ) and [CuCl 2 (NIT2‐thz) 2 ] ( 3 ) — have been synthesize…
A new class of pi-extended TTF-type electron donors (11 a-c) has been synthesized by Wittig-Horner olefination of bianthrone (9) with 1,3-dithiole phosphonate esters (10 a-c). In cyclic voltammetry experiments, donors 11 a-c reveal a single, electrochemically irreversible oxidation-yielding the corresponding dicationi…
Abstract The novel thioantimonate( III ) compound [Ni(dien) 2 ] 3 (Sb 3 S 6 ) 2 , which was synthesised under solvothermal conditions, contains isolated [Sb 3 S 6 ] 3− anions. In the X‐ray crystal structure, isolated cyclic [Sb 3 S 6 ] 3− anions occupy a boat‐like conformation and two different isomeric [Ni(dien) 2 ]…
The resonance Raman spectroscopic characterization of doped poly(benzidine) and poly(benzidine)−clay nanocomposites is reported for the first time. The montmorillonite clay was used as a host structure to confine the polymer. The organic−inorganic hybrid materials were synthesized by oxidative polymerization of benzid…
The well-known unsubstituted "Hamilton receptor" was monofunctionalized with an amino group and attached at the periphery of poly(propyleneamine) dendrimers through the use of an activated ester. Four generations of Hamilton-receptor-functionalized dendrimers (HR-dendrimers) were synthesized and characterized by (1)H…
A robust mixed-Eulerian-Lagrangian modeling is presented for the simulation of violent bubble motion, which is characterized by implementing a hybrid surface interpolation for calculating the material velocity. A linear averaging approximation is deployed for the parts of the surface where the change of the surface no…
The osmotic stress method was applied to study the thermodynamics of supramolecular self-assembly phenomena in crystallizable segments of Bombyx mori silkworm silk fibroin. By controlling compositions and phases of silk fibroin solution, the method provided a means for the direct investigation of microscopic and therm…
First-principles (FP) calculations of the electronic and vibrational properties of three different Haeckelite structures have been performed. The relatively low cohesive energies (when compared to C 60 ) of these phases suggest the possible synthesis of such novel carbon arrangements. In agreement with previous tight-…
Using density functional theory within the local density approximation (LDA) and generalized gradient approximation (GGA), we discuss the relative stability of the orthorhombic (or the $\ensuremath{\beta})$ phase and the hexagonal (or the $\ensuremath{\delta})$ phase of tantalum pentoxide. We find that, both LDA and G…
In this paper we report on the laser-excited Raman and luminescence spectroscopy of a series of ceria−zirconia mixed oxides, containing trivalent lanthanide ions as unintentional impurities, using 488.0-, 514.5-, and 1064.0-nm excitation wavelengths. We assigned the main bands located at Stokes shifts higher than 800…
The role of conformational change in substrate binding, catalysis and product release is reviewed for 11 enzymes, for which crystal structures are available for the apo, substrate- and product-bound states. The extent of global conformational changes is measured, and the movements of the functional regions involved in…
Crystalline germanium (Ge) nanocrystals were synthesized by arrested precipitation in supercritical hexane and octanol at 400∼550 °C and 20.7 MPa in a continuous flow reactor. Two Ge precursors were explored, diphenylgermane (DPG) and tetraethylgermane (TEG), which undergo thermolysis to crystalline Ge under these con…
We have investigated the photophysical, photochemical and electrochemical properties of two bis(azo) derivatives, (E,E)-m-1 and (E,E)-p-1. The two compounds, which can be viewed as being composed of a pair of azobenzene units sharing one of their phenyl rings, differ only for the relative position of the two azo group…
Magnetic semiconductors are attracting high interest because of their potential use for spintronics, a new technology which merges electronics and manipulation of conduction electron spins. (GaMn)As and (GaMn)N have recently emerged as the most popular materials for this new technology. While Curie temperatures are ri…
We report the discovery of a new pyrochlore oxide superconductor RbOs2O6. The compound crystallizes in the same beta-pyrochlore structure as the recently discovered superconductor KOs2O6, where Os atoms form a corner-sharing tetrahedral network called the pyrochlore lattice with Rb or K atoms in the cage. Resistivity,…
We employed micro-Hall magnetometry and micromagnetic simulations to investigate magnetic vortex pinning at single point defects in individual submicron-sized permalloy disks. Small ferromagnetic particles containing artificial point defects can be fabricated by using an image reversal electron beam lithography proces…
In this paper the influence of adsorbed hydrogen on the behavior of gold nanojunctions is investigated. It is found, that the hydrogen environment has a strong effect on the conductance of atomic-sized gold junctions, which is markedly reflected by the growth of an additional peak in the conductance histogram at 0.5 q…