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。
The electronic structures, magnetism, and half-metallicity of half-Heusler alloys XYZ (X = Mn, Ni; Y = Cr, Mn; Z = As, Sb) are investigated by means of the full-potential linearized augmented plane wave method within the generalized gradient approximation. We consider three types of atomic ordering (i.e., α, β, and γ…
Abstract: The paper summarizes crystal–chemical data and describes the IMA-accepted nomenclature of lovozerite-group minerals (LGM). The lovozerite group includes nine zeolite-like cyclosilicates with the general formula A3B3C2MSi6O12O6x(OH)xnH2O,
Motivated by quantum chemistry calculations, showing that molecular adsorption in graphene takes place on preferential sites of the honeycomb lattice, we study the effect of an isolated impurity on the local electronic properties of a graphene monolayer, when the impurity is located on a sitelike, bondlike, or hollowl…
Deformation behavior of polyethylene/modified montmorillonites with polymerizable surfactant (PE/P-MMT) nanocomposite with strong interfacial interaction was studied by means of morphology observation and X-ray scattering measurements. The orientation of PE chains was accompanied by the orientation of well-dispersed M…
The IR and Raman spectra of the Fe(3)Al(2)Si(3)O(12) almandine garnet were simulated using the periodic CRYSTAL code with an all-electron Gaussian-type basis set and the hybrid B3LYP functional. The wavenumbers of the 25 Raman-active modes (3 of A(1g), 8 of E(g), and 14 of F(2g) symmetry) and 34 F(1u) IR-active modes…
The transport and noise properties of ${\text{Pr}}_{0.7}{\text{Ca}}_{0.3}{\text{MnO}}_{3}$ epitaxial thin films in the temperature range from room temperature to 160 K are reported. It is shown that both the broadband $1/f$ noise properties and the dependence of resistance on electric field are consistent with the ide…
Novel polyfunctional small amphiphilic peptide dendrimers characterized by incorporation of a new core compounds - tris-amino acids or tetrakis-amino alcohols that originated from a series of basic amino acids - were efficiently synthesized. These new core elements yielded molecules with multiple branching and (+5)/(+…
Microporous layers on titanium (Ti) are formed by chemical treatment in highly concentrated alkaline media, and their properties and growth mechanism are examined using electrochemical techniques, in situ resistometry, scanning electron microscopy (SEM), grazing-incident X-ray diffraction (GIXRD), and glow discharge o…
The power-law dependence of strength on strain rate provides a measure of the strain-rate sensitivity. In general, strength increases as grain size decreases from the microscale into the nanoscale regime for many cubic metals. The method of microscratch testing is used to measure microhardness in order to evaluate mat…
Abstract This work describes the physical property analysis and molecular structural characterization by gas chromatography and nuclear magnetic resonance spectroscopy of cottonseed, sunflower, corn, canola, and soybean oils. To assess the relative quenching performance of these different vegetable oils, cooling curve…
Brownian molecular dynamic simulations are applied on the self-assembly behavior of AB-type diblock copolymers. The influence of chain conformation of core-forming A-block changing from rigid to flexible on the aggregation structure formed by AB copolymers is investigated. It is found that at a high rigid fraction f(R…
LiCu(2)P(2) and LiFeP have been synthesized by conventional solid-state reaction. LiCu(2)P(2) has a crystal structure similar to that of BaFe(2)As(2); LiFeP has the same crystal structure as that of LiFeAs. Resistivity and magnetization measurements reveal that they become superconductive at 3.5 K for LiCu(2)P(2) and…
The impact of ceria doping by Zn (atomic ratio Zn/(Zn + Ce) = 0.05) on the structural and catalytic properties of Au/CeO(2) catalyst was studied. The ceria modification influenced the catalytic activity toward purification of hydrogen via water-gas shift (WGS) and preferential CO oxidation (PROX) reactions in a differ…
Vanadium-containing polyoxometalates (POM) were synthesized by two distinct procedures (hydrothermal and under acidic conditions) and were thoroughly characterized by X-ray diffraction, Fourier transform infrared spectroscopy, Brunauer−Emmett−Teller (BET) method, UV−vis, 31 P and 51 V magic angle spinning NMR, scannin…
A novel kind of luminescent ternary organic-inorganic mesoporous hybrid Eu(TTASi-SBA-15)(3)phen (phen = 1,10-phenanthroline) has been assembled by the Eu(3+) complex covalently attached to the TTA directly Functionalized ordered mesoporous SBA-15, which is characterized to have high surface area, uniformity in the mes…
A new method allowing the (14)C-labeling of carboxylic acid functions of carbon nanotubes is described. The key step of the labeling process is a decarbonylation reaction that has been developed and optimized with the help of a screening method. The optimized process has been successfully applied to multiwalled carbon…
We consider the contribution of acoustic modes to the density of vibrational states measured by nuclear inelastic, inelastic x-ray, and inelastic neutron scattering. In nuclear and x-ray scattering, the low-energy part of the density of states (DOS) is compared with the contribution of acoustic modes to the generalize…
The bacterial phosphoenolpyruvate (PEP) sugar phosphotransferase system mediates sugar uptake and controls the carbon metabolism in response to carbohydrate availability. Enzyme I (EI), the first component of the phosphotransferase system, consists of an N-terminal protein binding domain (EIN) and a C-terminal PEP bin…
The effects of surface imprinting on the adsorption and desorption properties of benzene- and diethylbenzene-bridged periodic mesoporous organosilicas (PMOs) acting as GC stationary-phase preconcentration sorbents for benzene and xylene were examined. Surface-imprinted and nonimprinted PMOs with diethylbenzene (DEB),…
We report novel magnetoelectric properties of a quantum-spin helimagnet Ba2CuGe2O7 with a noncentrosymmetric (but nonpolar) crystal structure. It was found that the spin helicity of the cycloidal spin order is always fixed to the lattice, therefore the magnetic propagation vector k determines the sign of electric pola…