Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Two 4-ns molecular dynamics simulations of calcium loaded calmodulin in solution have been performed, using both standard nonbonded cutoffs and Ewald summation to treat electrostatic interactions. Our simulation results are generally consistent with solution experimental studies of calmodulin structure and dynamics, i…
Abstract. Large strain plastic deformation of f.c.c. metals at low homologous temperatures results in the subdivision of monocrystals or polycrystal grains into mesoscopic fragments and deformation bands. Stage IV of single crystal work-hardening and the substructural contribution to the mechanical anisotropy emerge a…
Keine Neutralisation: Wie kann ein Reaktionsgefäß gleichzeitig eine Säure und eine Base enthalten, ohne dass sich diese neutralisieren? Eine Methode, die auf Sol/Gel-Materialien beruht, bietet einen Lösungsansatz für dieses Problem: Säuren und Basen werden in diesen Materialien immobilisiert, und organische Reaktionss…
CaCO3/polystyrene inorganic/organic composite nanoparticles (50 nm) with a core/shell structure were synthesized in 80% yield by emulsion polymerization. Nanometer CaCO3 was pretreated with γ-methacryloxypropyltrimethoxysilane in order to introduce polymerizable groups onto its surface. Soxhlet extraction experiments…
We report on a single-molecule study of a host-guest system that consists of a second-generation polyphenylene dendrimer and the cyanine dye Pinacyanol. The use of single-molecule spectroscopy enables us to obtain more detailed information on the properties of the host-guest system and can be used to confirm solution…
Static as well as dynamic electronic and vibrational longitudinal first hyperpolarizabilities ( and ) of α,ω,-nitro,amino-polyacetylene oligomers, containing up to 16 unit cells, have been computed at the Hartree−Fock and second-order Møller−Plesset levels using the 6-31G atomic basis set. The curve of first hyperpola…
The donor–acceptor complexes [Fe(C5H5){C5H4QNHM(NO)(TpMe,Me)X}] {TpMe,Me = tris(3,5-dimethylpyrazolyl)borate; Q = nothing, M = Mo, X = Cl, Br, I; M = W, X = Cl; Q = C6H4, M = Mo, X = Cl, Br, I; M = W, X = Cl; Q = CHCHC6H4 or NNC6H4, M = Mo, X = Cl), which contain 16-valence electron metal nitrosyl centres, [Fe(C5H5){C…
We examine the influence of strain fields in ZnO epilayers. We show that a reversal of the nature of the fundamental valence band can be observed similarily to what was reported in GaN epilayers.
A highly conducting polyaniline, doped with a Lewis acid, boron trifluoride, has been synthesized. Doping involves a transfer of the lone pair of electrons from the imine nitrogen of the polyaniline to the B center, leading to a change in the hybridization at the B site from sp2 to sp3. Various spectroscopic technique…
A study is made of the role of flaw state on the strength properties of brittle ceramic coating layers bonded to soft polycarbonate substrates. We introduce Vickers radial cracks at prescribed loads into the coating undersurfaces prior to bonding to control the sizes and locations of the starting flaws. A spherical in…
This article focuses on recent developments made in the field of siloxane and carbosiloxane dendrimers with the silicon atoms as the branching (1 → 2, 1 → 3, or 1 → 4) points. It attempts to treat in a comprehensive way the divergent growth method for the synthesis of Si–O- and Si–O–C-based dendrimers, including their…
A simple model is proposed for calculating a change in the electron work function caused by the adsorption of Cs atoms on the (111) rutile surface. The model takes into account both the dipole-dipole repulsion of adatoms and the adlayer metallization at large coverages. The results of the calculation using this model…
Abstract Eu 8/7 TiS 3 and Sr 8/7 TiS 3 , two members in the hexagonal perovskite-like A x TiS 3 family, have been obtained as single crystals and their structure solved from twinned crystal X-ray data within the (3+1)-dimensional [(3+1)D] formalism. Eu 8/7 TiS 3 and Sr 8/7 TiS 3 crystallizes in the trigonal symmetry,…
The field electron emission, structural features, and electronic properties of carbon films obtained by chemical vapor deposition were experimentally studied. It is shown that the field electron emission from the films composed of spatially oriented carbon nanotubes and platelike graphite nanocrystals is observed for…
ZrO2 thin films were prepared by dip-coating on silica glass via sol-gel processing. Ethanolic sols of zirconium butoxide were used as precursors. The ZrO2 films were prepared under controlled atmosphere and resulted transparent, homogeneous, crack-free, and well adherent to the substrates under heating up to 900 °C.…
The catalytic conversion of ethanol and isopropanol was conducted over Co 3 O 4 /Al 2 O 3 solids (19.3 wt% Co 3 O 4 ) precalcined at 400°C and subjected to different doses of γ-radiation. The reaction was studied at different temperatures in the range 250–400°C and monitored using nitrogen as a carrier gas flowing at…
We present thermoluminescence (TL) glow curves and optical stimulated luminescence (OSL) response from both KCl:Eu2+ crystals irradiated with soft X-rays (20 KV, 80 μA) and ultraviolet light (230 nm). Two situations take place. First, we observed that for long time F-light bleaching (560 nm) the typical TL glow curve…
Abstract Films were formed by coating hydroxypropyl cellulose (HPC) or ethyl cellulose (EC) with different kinds of solvents at high coating speeds and thin coating thicknesses. These films were used as alignment layers for liquid crystals. Atomic force microscopy (AFM) and polarizing optical microscopy (POM) were use…
The thermoelectric figure of merit of a semiconductor p-n junction is calculated in terms of the diode theory taking account of the bipolar thermal conductivity. The thermoelectric figure of merit of a Bi 2 Te 3 diode is estimated and it is shown that the Ioffe criterion may be at the same level as the best modern the…
HDPE/iron powder composites have been characterized from the point of view of mechanical, thermal and electrical properties. Results for iron powder contents varying between 0 and 24 % by volume are presented. Generally, the composites show poorer mechanical properties as compared with the unfilled polymer. The densit…