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 hexanuclear cobalt clusters [Co6(bms)12]·(X)6·yH2O (1, X = , y = 12; 2, X = , y = 8) and one new trinuclear nickel cluster [Ni3S(bms)3]·NO3·C2H5OH (3) (Hbms = (1H-benzoimidazol-2-yl)-methanethiol) have been synthesized and characterized by elemental analysis, IR spectrum, and X-ray single-crystal diffraction. Comp…
A protocol is presented and used for the computation of physicochemical properties of nitroaromatic energetic compounds (ECs) using molecular simulation. Solvation and self-solvation free energies of ECs are computed using an expanded ensemble (EE) molecular dynamics method, with the TraPPE-UA/CHELPG and CGenFF/CHELPG…
The insatiable demand for miniaturization of consumer electronics has brought continuing challenges in the electronic packaging field. As a consequence, immense information processing duties, high current density and large joule heating are exerted on the package, which makes electromigration and thermomigration a ser…
Kinetics of iron(II)- and manganese(II)-catalyzed oxidation of S(IV) in seawater were studied here to provide theoretical support for the flue gas desulfurization process (SFGD). Experiments were carried out with artificial seawater and acetic buffer. Results indicated that the reaction order with respect to dissolved…
Inspired by Babinet's principle, we proposed a new plasmonic structure for enhancing the optical magnetic field, i.e. split ring aperture, whose complement is the well-known split ring. The split ring aperture exhibits a much better performance under radially polarized excitation than linearly polarized excitation. We…
Three different dimers of the adenine-thymine (A-T) base pair are studied to point out the changes of important properties (structure, atomic charge, energy and so on) induced by coupling between the movement of the atoms in the hydrogen bonds and the stacking interaction. The comparison of these results with those fo…
Defects in Au-catalysed CdTe nanowires vapour-liquid-solid-grown on polycrystalline underlayers have been critically evaluated. Their low-temperature photoluminescence spectra were dominated by excitonic emission with rarely observed above-gap emission also being recorded. While acceptor bound exciton lines due to mon…
Silanol groups on a silica surface affect the activity of immobilized catalysts because they can influence the hydrophilicity/hydrophobicity, matter transfer, or even transition state in a catalytic reaction. Previously, these silanol groups have usually been passivated by using surface-passivation reagents, such as a…
We report field and temperature dependent measurements of the thermoelectric power (TEP) and the Nernst effect in the itinerant metamagnet UCoAl. The magnetic field is applied along the easy magnetization c axis in the hexagonal crystal structure. The metamagnetic transition from the paramagnetic phase at zero field t…
The spatial electric field is a key parameter for gas discharge research. Based on the electro-optic effect, a small size (mm), wide measuring-amplitude (MV/m), mono-shield structure, integrated electro-optic sensor is designed and developed. The ns-level time domain calibration system of the sensor is established. Th…
In this work, a new technique of modified-alkali leaching–dilute acid washing for extracting synthetic rutile from high-titanium slag is proposed. Most of the Ti components are enriched into the rutile phase during the modification, and rutile can be separated by alkali leaching–dilute acid washing. Thermodynamic anal…
Fourier transform infrared (FTIR) spectroscopy is an attractive tool for proteomics research as it can be used to rapidly characterize protein secondary structure in aqueous solution. Fourier transform infrared spectrometry is well known as a powerful tool for determination of secondary structures of proteins. This pa…
ABSTRACT Each welded connection between blades and band or crown of a Francis hydraulic turbine runner can be considered as a T‐joint subjected to pure bending induced by the water action. A semi‐elliptical crack is assumed to exist at the surface of one of the aforementioned welded connections. The actual geometry of…
Serine acetyltransferase (CysE) is the first enzyme involved in the two-step enzymatic pathway of L-cysteine biosynthesis in bacteria and plants, but not in humans. CysE catalyzes the biosynthesis of O-acetyl-L-serine and CoA from L-serine (L-Ser) and acetyl-CoA (AcCoA). Mycobacterium tuberculosis (M. tuberculosis) Rv…
Thioenethiophene derivatives represent an important class of compounds with diverse biological activities. We describe here the synthesis of a new series of thieno[2,3-b]thiophene containing bis-heterocyclic compounds 3-7. All the compounds were evaluated for their in vitro antioxidant potential, α-glucosidase and β-g…
Chromium and ruthenium-doped zinc oxide (ZnO:Cr) and (ZnO:Ru) thin solid films were deposited on soda-lime glass substrates by the sol-gel dip-coating method. A 0.6 M solution of zinc acetate dihydrate dissolved in 2-methoxyethanol and monoethanolamine was used as basic solution. Chromium (III) acetylacetonate and Rut…
In the spin ladder compound ${\mathrm{BiCu}}_{2}{\mathrm{PO}}_{6}$, there exists a decisive dynamics of spin excitations that we classify and characterize using inelastic light scattering. We observe an interladder singlet bound mode at $24\text{ }\text{ }{\mathrm{cm}}^{\ensuremath{-}1}$ and two intraladder bound stat…
A novel conjugated polymer PIDTT-quinoxaline (Qx) based on the coplanar thieno[3,2-b]thiophene-phenylene-thieno[3,2-b]thiophene structure is synthesized and evaluated as an electron-donor material for bulk-heterojunction polymer solar cells (BHJ PSCs). The absorption spectra, electrochemical, charge transport, and fil…
Abruptly focusing Airy beams have previously been generated using a radial cubic phase pattern that represents the Fourier transform of the Airy beam. The Fourier transform of this pattern is formed using a system length of 2f, where f is the focal length of the Fourier transform lens. In this work, we directly genera…
Activated dissociative adsorption of a hydrogen molecule on metal surfaces is studied in the framework of the precursor mediated dissociation (PMD) mechanism according to which the dissociation proceeds through a molecular-adsorbed state (precursor) which then dissociates to H atoms. The PMD activation energies and ra…