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。
This work reports on the structural characterization and on the low-temperature upconversion spectroscopy of the Y2O3:2%Er,1%Yb nanophosphor prepared by thermal decomposition of a polymeric resin (Pechini’s method [U.S. Patent No. 3,330,697 (July 11 1967)]). The average particle size evaluated from transmission electr…
We present a new reactive force field ReaxFF(HBN) derived to accurately model large molecular and condensed phase systems of H, B, and N atoms. ReaxFF(HBN) has been tested against quantum calculation data for B-H, B-B, and B-N bond dissociations and for H-B-H, B-N-B, and N-B-N bond angle strain energies of various mol…
In order to characterize the spin-spin exchange interactions responsible for the Type-${E}^{\ensuremath{'}}$ antiferromagnetic order in inhomogeneous ${\mathrm{RNiO}}_{3}$ perovskites ($R=\mathrm{Y}$ or rare earth), the pressure dependence of the N\'eel temperature ${T}_{\mathrm{N}}$ was systematically measured for sa…
A new materials model for sand has been developed in order to include the effects of the degree of saturation and the deformation rate on the constitutive response of this material. The model is an extension of the original compaction materials model for sand in which these effects were neglected. The new materials mo…
An existing model for the piezoelectric thickness coefficient (d33 coefficient) of cellular polymers is tested with experimental data obtained from two differently manufactured cellular polypropylene (PP) materials. The model assumes the cellular film to consist of plane parallel solid and gaseous layers charged at th…
Two- and three-dimensional, ordered nanocrystal arrays are formed from the self-assembly of water-soluble nanocrystal–micelles that are prepared using surfactant encapsulation techniques. This new method is simple, widely applicable, and can be used to prepare water-soluble nanocrystals with different compositions and…
Bridging the gap: Heterogenized Shibasaki's binol/La catalyst is synthesized by a self-supporting strategy through the reactions of multitopic ligands with La(OiPr)3 (see picture). The catalyst shows high activity and enantioselectivity, and can be reused in the asymmetric epoxidation of α,β-unsaturated ketones.
Processing effects on the dielectric properties of sol–gel‐derived PbZrO 3 –PbTiO 3 (PZT) films integrated onto Pt/Ti/SiO 2 //Si substrates are reported. Sol–gel synthesis and deposition conditions were designed to produce films of varying thickness (95–500 nm) with consistent chemical composition (Pb (Zr 0.53 Ti 0.47…
A combinatorial phage display method was applied to films composed of a stereoregular polymer of methacrylates. The phage clones with selective affinity for isotactic (it) poly(methyl methacrylate) (PMMA) were isolated. Greater amounts of the phage clones bound to it-PMMA, compared to other stereoregular PMMAs. The ph…
Complex phase structures of AB/CD diblock copolymer blends were investigated. Two pairs of poly(isoprene- block -2-vinylpyridine) (IP) and poly(styrene- block -4-hydroxystyrene) (SH) diblock copolymers with different molar ratios, 5:5 and 9:1, were used; they were coded IP-55, IP-91, SH-55, and SH-91, respectively. Tw…
We present here an algorithm for computing stable, well-defined localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The algorithm is very fast, limited only by diagonalization of two matrices with dimension the size of the number of virtual orbitals. Furthermore, we require no more tha…
PbWO 4 nanostructures with different morphologies, such as polyhedral, spindle-like, and dot-shaped, have been successfully synthesized via a mild sonochemical route from an aqueous solution of lead acetate and sodium tungstate in the presence of complexing reagent NTA. Reaction conditions, such as pH value and the co…
The three-dimensional structure of nanocrystalline magnesium ferrite, MgFe 2 O 4 , prepared by ball milling, has been determined using synchrotron radiation powder diffraction and employing both Rietveld and atomic pair distribution function (PDF) analysis. The nanocrystalline ferrite exhibits a very limited structura…
ZnO/CdSe/CuSCN extremely thin absorber ( eta )-solar cells based on ZnO nanowires have been successfully realized using easily accessible electrochemical and solution deposition techniques. An n-type ZnO film consisting of free-standing single crystal nanowires several microns high and 100–200 nm in diameter was-depos…
The molecular mechanism of the Baeyer-Villiger oxidation of cyclohexanone with hydrogen peroxide catalyzed by the Sn-beta zeolite has been investigated by combining molecular mechanics, quantum-chemical calculations, spectroscopic, and kinetic techniques. A theoretical study of the location of Sn in zeolite beta was p…
The hydrothermal reaction of Ni(NO3)2, NaN3, and nicotinic acid (Hnic) yielded a 3-D supramolecular framework complex, [Ni(1.5)(N3)(nic)2(Hnic)]n (1) with unusual magnetic properties. In 1, Hnic and nic-1 coexist and show different coordination modes (mu2-Hnic-N,O, mu2-nic-N,O, and mu3-nic-N,O,O bridging NiII ions), a…
The magnetocaloric properties of a series of manganites with the composition La 0.67 Ca 0.33− x Sr x MnO 3 ± δ , (LCSM), have been investigated by direct and indirect measuring techniques. The compounds showed a magnetocaloric effect near the Curie temperature, which increased from 267 K for x = 0 to 369 K for x = 0.3…
We have studied the microstructures and ferroelectric properties of MnO2-doped bismuth-layered (Ca,Sr)Bi4Ti4O15 (CSBTM). The piezoelectric coefficient, dielectric loss, mechanical quality factor, and the P-E hysteresis loop measurements indicate that Mn ions entered both the A and B sites of the pseudoperovskite-layer…
Collagens are abundant proteins in higher organisms, and are formed by a complex biosynthetic pathway involving intracellular and extracellular post-translational modifications. Starting from simple soluble precursors, this interesting pathway produces insoluble functional fibrillar and non-fibrillar elements of the e…
Composite thin films of polyelectrolytes and fluorescent nanoparticles can be directly transfer-printed onto various substrates including indium tin oxide coated poly(ethylene terephthalate). The sequential transfer printing of thin films with controlled alignment introduces multicomponent patterns onto substrates, de…