Materials Literature
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We studied the relation between the electronic structure and the physical properties of ${\mathrm{Sr}}_{3}\mathrm{Fe}M{\mathrm{O}}_{7}$ ($M=\mathrm{Fe}$, Co). The main technique used in the study was Fe $2p$, Co $2p$, and O $1s$ x-ray-absorption spectroscopy. The experimental spectra were analyzed in terms of cluster…
The atomistic simulation of polycrystalline growth with an empirical potential requires an accurate modeling of the atomic configurations at grain boundaries. We refine an existing embedded-atom potential for bulk titanium to reproduce systems with small atomic coordination, namely, clusters of up to nine atoms, the r…
Strong cooperative interactions occur between four different broken symmetries involving charge ordering and bond distortions in the quarter-filled correlated zigzag electron ladder. The ground state is singlet, with spin gap several times larger than in the spin-Peierls state of the one-dimensional quarter-filled cha…
We have studied the Raman intensities of low-frequency phonon modes in germanium $(\mathrm{Ge})$ nanocrystals (NC) with varying sizes by using a microscopic valence force field model. The results are compared with the predictions of the continuum model of Lamb using a projection method. We found that the $l=0$ spheroi…
Abstract Powders of cobalt core with a nickel (II) oxide shell (CoNiO) have been studied by Electron Spin Resonance (ESR) technique in the temperature range of 10–300 K. A strong and broad (1300 G) single ESR peak in X‐, K‐ and Q‐band spectra has been observed at all the temperature ranges. While the resonance field r…
The behavior of a multilayer material at high strain rate is investigated by a combination of experimental and numerical techniques. It is shown that, although the Split Hopkinson Pressure Bar (SHPB) at first appears unsuitable for such applications, it is a valuable tool to validate finite element modeling. The feasi…
In an attempt to explore the mechanism for the synthesis of silsesquioxanes (POSS), the entire reaction processes from HSi(OH)3 to T8, one of the most common and stable POSS was investigated with electronic structure theory calculations, including electron correlation effects. In addition, the effect of some controlli…
A photoactive supramolecular assembly that is based on the hydrogen-bonded system H1.G2, consisting of a methyl viologen-functionalized barbiturate host (H1) (1-(N-(3,5-bis[[(6-tert-butylacetylamino-2-pyridyl)amino]carbonyl])-phenylacetamide)-1'-methyl-4,4'-bipyridium) and a [Re(Br)(CO)3(barbi-bpy)] (barbi-bpy = 5-[4-…
We describe the design and operation of a spatially-filtered Raman/fluorescence spectrometer that incorporates a pulsed 532nm laser excitation source and a synchronized and electronically gated CCD detector. This system permits the suppression of undesired continuous radiation from various sources by a factor of up to…
We have theoretically investigated the mechanism of the pressure-induced reconstructive zinc-blende to rocksalt phase transition in SiC. We obtained 925 possible transition pathways (TPs) using a group-theoretical analysis method. This extensive survey of possible TPs is a significant feature which distinguishes this…
Mononuclear gold complexes synthesized from AuIII(CH3)2(acac) in zeolite NaY were characterized by time-resolved X-ray absorption spectroscopy and infrared spectroscopy as they catalyzed CO oxidation at 298 K and 760 Torr in flow systems. Initial contact with a CO + O2 mixture led to the rapid formation of cationic go…
A one-component acceptor-donor-acceptor compound based on a rigid TCNQ-σ-TTF-σ-TCNQ system (see picture) exhibits a unique case of both intramolecular charge and electron transfer through space that is strongly dependent on the polarity of the medium. The strong dependence of the ground-state electronic structure on t…
Aromatic poly(1,3,4-oxadiazole-amide-ester)s were prepared by polycondensation reaction of diacid chlorides containing preformed ester groups with aromatic diamines containing 1,3,4-oxadiazole units. These polymers were easily soluble in N-methylpyrrolidinone and were cast into flexible films from such solutions. The…
Aromatic polyamides with multi amino end groups were prepared from a novel triamine (II) (BB’B’’) and dicarboxylic acids (A 2 ) in the presence of (2,3-dihydro-2-thioxo-3-benzoxazolyl) phosphonic acid diphenyl ester (DBOP) as a condensing agent. The corresponding polyamides were obtained in quantitative yields with in…
Based on the three-order-parameter model, we investigate the orientational order transition of striped patterns in microphase structures of diblock copolymer-homopolymer mixtures in the presence of periodic oscillatory particles. Under suitable conditions, although the macrophase separation of a system is almost isotr…
XPS-ESCA analysis showed small signal for phosphorus in fresh specimens of aluminum phosphide (AlP). After removal of a layer of about 0.5 – 1.0 μm by argon ion sputtering, it was observed that signal intensities from oxygen and aluminum increased. The oxygen signal decreased as a function of sputtering time, synchron…
Abstract We report shortly the observation of visible cathodoluminescence (CL) from micropowders of Eu‐doped cubic boron nitride synthesized under high‐pressure/high‐temperature conditions and also annealed in a vacuum in the temperature range from 400 to 1100 °C. The multiplet of lines due to the intra‐ 4f transition…
A series of segmented polyurethanes were synthesized by the reaction of poly (ethyleneadypate) diol, 4,4’-methylene-bis(phenyl isocyanate) and ethylene glycol. Various solvents were used as reaction media: N-methyl-2-pyrrolidone (NMP), dimethylformamide (DMF) and mixtures of NMP with DMF, toluene, and ethyl acetate (a…
Two series of polyimides were prepared by thermal imidization of polyamide acid derived from 2,3,3’,4’-biphenyltetracarboxylic dianhydride (a-BPDA), 2,3,2’,3’-biphenyltetracarboxylic dianhydride (i-BPDA) or 3,3’,4,4’-oxydiphthalic dianhydride (ODPA) and 4,4’-oxydianiline (4,4’-ODA). The properties of copolyimides deri…
Molecule-based materials show a large variety of physical properties such as conductivity, magnetism, optics, which render them attractive for a new generation of electronic devices. Electrochemical processing is one of the methods that may be applied to grow thin conductive films. Depending on the systems, the techni…