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。
First principles total energy calculations were performed to characterize oxygen vacancy defects in tantalum pentoxide (Ta2O5). A simplified version of the crystalline orthorhombic phase of Ta2O5 was used in this study. Results indicate that O vacancies in Ta2O5 can be broadly classified based on their location in the…
Deep Inelastic Neutron Scattering measurements on liquid $^3$He-$^4$He mixtures in the normal phase have been performed on the VESUVIO spectrometer at the ISIS pulsed neutron source at exchanged wavevectors of about $q \simeq 120.0$ Å$^{-1}$. The neutron Compton profiles J(y) of the mixtures were measured along the $T…
According to the random first-order transition (RFOT) theory of glasses, the barriers for activated dynamics in supercooled liquids vanish as the temperature of a viscous liquid approaches the dynamical transition temperature from below. This occurs due to a decrease of the surface tension between local metastable mol…
Confinement of silicon nanoparticles in silicon nitride instead of an oxide matrix might materially facilitate its potential applications as a light-emitting component in optoelectronics. We report in this letter the production of high-density (up to 4.0×1012/cm2 from micrographs) silicon nanoparticles in SiNx thin fi…
When a composite of nonlinear particles suspended in a host medium is subjected to a sinusoidal electric field, the electrical response in the composite will generally consist of alternating current (AC) fields at frequencies of higher-order harmonics. The situation becomes more interesting when the suspended particle…
Cellulose fibers, in the form of a conventional filter paper, have been modified by reacting the hydroxyl groups on the fiber surface with 2-bromoisobutyryl bromide, followed by grafting using ATRP conditions. The papers were first grafted with methyl acrylate (MA), rendering the paper very hydrophobic as reported in…
We theoretically predict the thermal conductivity versus temperature dependence of Si and Ge nanowires. Three methods are compared: the traditional Callaway and Holland approaches, and our “real dispersions” approach. Calculations with the former two show large disagreements with experimental data. On the contrary, th…
We show that the thermal and electrical properties of single wall carbon nanotube (CNT)-polymer composites are significantly enhanced by magnetic alignment during processing. The electrical transport properties of the composites are mainly governed by the hopping conduction with localization lengths comparable to bund…
The amine moiety is an important functionality for many applications such as enzyme immobilization on porous solid supports. In this study, mesoporous SBA-15 was functionalized by co-condensation of tetraethoxysilane (TEOS) with organosilane (aminopropyl)triethoxysilane (APTES) in a wide range of molar ratios of APTES…
Today, the price of building a factory to produce submicron size electronic devices on 300 mm Si wafers is over billions of dollars. In processing a 300 mm Si wafer, over half of the production cost comes from fabricating the very-large-scale-integration of the interconnect metallization. The most serious and persiste…
We describe development of a relatively simple, rapid route to produce combinatorial compositional oxide powder libraries by autopipetting of liquid precursors. This partitioning approach should apply equally well to any low viscosity, liquid precursors for the synthesis of oxide powders. A commercial autopipet is mod…
In the original work by Blow and Crick, experimental phasing was formulated as a least-squares problem. For good data on good derivatives this approach works reasonably well, but we now attempt to extract more information from poorer data than in the past. As in many other crystallographic problems, the assumptions un…
Waste oil refinery catalyst from the FCC unit was tested as a possible additive for the production of polymeric composites with antimicrobial properties. The effect of the silver ion on the growth inhibition of bacteria ( E. coli and S. aureus ), mold ( A. niger ), and yeasts ( C. tropicalis and Cr. humicolus ) was st…
The ultimate purpose of diffraction data collection is to produce a data set which will result in the required structural information about the molecule of interest. This usually entails collecting a complete and accurate set of reflection intensities to as high a resolution as possible. In practice, the characteristi…
The local dynamics of poly(dimethylsiloxane) (PDMS) has been investigated by quasi-elastic neutron scattering (QENS). Methyl group reorientations dominate the QENS spectra up to 215 K (i.e., below the melting temperature, T m ≈ 235 K). The dynamics of the CH 3 groups is interpreted in terms of a model function consist…
The electrochemistry of a novel organic−inorganic material in which 4,4‘-bipyridinium units (BP) are covalently attached to the walls of a periodic mesoporous organisilica (PMO) of the MCM-41 type is described. The pristine material (BP@PMO), having its internal space completely filled by the cetyltrimethylammonium st…
We report a study of viscosity by the method of Helfand moment in systems with periodic boundary conditions. We propose a new definition of Helfand moment which takes into account the minimum image convention used in molecular dynamics with periodic boundary conditions. Our Helfand-moment method is equivalent to the m…
A family of inorganic-organic hybrid vanadium selenites with zero-, one-, two-, and three-dimensional structures, (1,10-phen)(2)V(2)SeO(7), (2,2'-bipy)VSeO(4), (4,4'-bipy)V(2)Se(2)O(8), and (4,4'-bipy)(2)V(4)Se(3)O(15).H(2)O (where phen = phenanthroline and bipy = bipyridine), were hydrothermally synthesized and chara…
The crystal structure of the extracellular domain of the LDL receptor (LDL-R) was determined in a MAD experiment using 12-tungstophosphate clusters as anomalous scatterers. While useful for phasing, the tungsten clusters rendered the crystals radiation-sensitive and non-isomorphous and profoundly altered the diffracti…
The synthesis of the first fluorine-containing iron porphycenes, 2,7,12,17-tetraethyl-3,6,13,16-tetrakis(trifluoromethyl)porphycenatoiron(III) chloride [FePc(EtioCF(3))]Cl and its micro-oxo dimer [FePc(EtioCF(3))](2)O and their characterizations are reported. The crystal structure of [FePc(EtioCF(3))](2)O displays a s…