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 sequence infrastructure that has arisen through large-scale genomic projects dedicated to protein analysis, has provided a wealth of information and brought together scientists and institutions from all over the world. As a consequence, the development of novel technologies and methodologies in proteomics research…
With a high Curie temperature and low entropy change, the magnetic-field-induced martensitic transformation has been obtained in ferromagnetic shape memory alloys MnNiGa by doping a small amount of Co. Due to the ferromagnetic activation effect of Co, a large amount of antiferromagnetically aligned Mn moments are turn…
Multiple exciton generation and subsequent electrical extraction from a thin film photoconductive device constructed from PbSe nanocrystal quantum dots are demonstrated. The hydrazine treatment of the PbSe film drastically improves the conductivity of the film while maintaining excellent optical and structural film qu…
The dynamic mechanical properties of high density mixtures of polytetraflouroethylene, aluminum (Al), and tungsten (W) powders are tailored by changing the morphology of the particles and porosity. Powder composites with fine metallic particles exhibited higher ultimate compressive strength, despite higher porosity, t…
We report CO-induced lifting of the hexagonal surface reconstruction on Au (001). Using in-situ surface x-ray scattering, we determined a pressure-temperature phase diagram for the reconstruction and measured the dynamical evolution of the surface structure in real time. Our observations provide evidence that, under c…
The recent interest in the imaging possibilities of photonic crystals (superlensing, superprism, optical mirages etc...) call for a detailed analysis of beam propagation inside a finite periodic structure. In this paper, an answer to the question "where does the beam emerge?" is given. Contrarily to common knowledge,…
An efficient first principles method was developed to calculate spin transfer torques in layered system with noncollinear magnetization. The complete scattering wave function is determined by matching the wave function in the scattering region with the Bloch states in the leads. The spin transfer torques are obtained…
The use of cryogenic treatment (CT) to improve mechanical properties of materials has been developed from the end of the Sixties. At the present time, the initial mistrust about CT has been cleared up and many papers about different materials reporting laboratory tests results, microstructural investigations and hypot…
Abstract This article presents an XPS study of Ce 3d emission spectra dominated by atomic multiplet effects in core level spectroscopy of rare earth compounds (Ce oxides). Core level spectroscopy has been used to study the electronic states of Ce 3d 5/2 and Ce 3d 3/2 levels in Ce 4+ and Ce 3+ states. The well‐resolved…
The magnetic properties of the organic/inorganic hybrid copper-methylenediphosphonate, Cu2(O3PCH2PO3) were examined by performing the spin dimer analysis based on the extended Hckel tight binding method. In Cu2(O3PCH2PO3) the CuO3 chains made up of edge-sharing CuO5 square pyramidal units are inter-linked by O-P-O bri…
The polymeric ten-coordinate rare earth metal (RE) complex with nta, {[EuIII(C-nta)(T-nta)] · 3H2O} n , has been synthesized in aqueous solution and characterized by FT-IR, elemental analyses, TG-DTA and single-crystal X-ray diffraction technique. The {[EuIII(C-nta)(T-nta)] · 3H2O} n crystallizes in the cubic system w…
Three dimeric rare-earth complexes [Eu(p-FBA)3(phen)(H2O)]2 (1), [Tb(p-FBA)3phen]2 (2), and [Tb(o-FBA)3phen]2 (3) (where p-FBA = p-fluorobenzoate, o-FBA = o-fluorobenzoate, phen = 1,10-phenanthroline) were synthesized and structurally characterized. All are neutral dimeric molecules. Complex 1 crystallizes in triclini…
Poly(allylamine) hydrochloride is a weak cationic polyelectrolyte that exhibits different aggregation properties at different solution pH values and aging times. Specifically, after several days aging in a pH 3 buffer, less than 1 mg/mL poly(allylamine) hydrochloride became turbid, and the hydrodynamic radius increase…
摘要：
We study the general problem of mixing for ab-initio quantum-mechanical problems. Guided by general mathematical principles and the underlying physics, we propose a multisecant form of Broydens second method for solving the self-consistent field equations of Kohn-Sham density functional theory. The algorithm is robust…
We clarify the origin of anomalous tunneling [Yu. Kagan et al. Phys. Rev. Lett. 90 (2003) 130402] i.e. the perfect transmission at low energy limit of tunneling of phonon excitations across the potential barrier separating two Bose condensates. The perfect transmission is a consequence of the coincidence of the wave f…
Abstract Raman scattering measurements were conducted for 4-nitrobenzenethiol (4-NBT) assembled on gold μ-powders sparsely dispersed on smooth silver substrates. The SERS signals of 4-NBT were enhanced by using smooth Ag substrates caused by electromagnetic coupling of the surface plasmon polaritons of μAu powders and…
Molecular dynamics simulations were carried out to investigate the structural properties and the structure related optical properties of a pyrene-functionalized film and also the film in the presence of nitrobenzene. It has been shown that at equilibrium (1) the pyrene molecules of the film, of which the fluorophore m…
Abstract Treatment of a S-bridged CoIIIAuICoIII trinuclear complex [1]3+, newly prepared from ΔL-[Co(l-cys-N,S)(en)2]+ and AuI, with MnCl2 gave a 1D (CoIII2MnIIAuI)n polymeric complex, in which two carboxylate groups of [1]3+ bind to two MnCl2 moieties. On the other hand, a discrete CoIII2MnIIAuI tetranuclear complex,…
The zone-center phonon spectra of phase-I ammonia and deuterated ammonia have been obtained from plane-wave DFT molecular dynamics and localized basis set harmonic lattice dynamics simulations. These data have proved to be excellent for benchmarking the two approaches. Significant changes to the assignments of the exp…