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。
A one-dimensional supramolecular head-to-tail N+ -H...N-type hydrogen-bonded chain of the complex [FeII(L)2H](ClO4)3.MeOH [L = 4'-(4'''-pyridyl)-1,2':6'1''-bis(pyrazolyl)pyridine] exhibits a reversible, thermally driven spin transition at 286 K with a hysteresis loop of ca. 2 K.
MoO(3) nanostructures with different morphologies, such as helical nanosheets, crosslike nanoflowers, and nanobelts, have been synthesized on a large scale by an environmentally friendly chemical route. The evolution process from helical nanosheets to crosslike nanoflowers to nanobelts is observed for the first time.…
The extensive and wide-ranging neutron and x-ray scattering studies of relaxors carried out by Gen Shirane and his collaborators are reviewed. Among the many results they have reported in some 50 scientific papers published since 1999, there are three especially notable accomplishments; namely, the discovery of a mono…
We have investigated the structural and the magnetic properties of 3d transition metal (TM) doped Zn1−xTMxO (TM=Co,Mn) diluted magnetic semiconducting nanoparticles for different doping concentrations (0⩽x⩽0.4) synthesized by chemical “pyrophoric reaction process.” From x-ray diffraction measurements the solubility li…
This paper reports a molecular simulation and experimental study on the adsorption and condensation of simple fluids in mesoporous micelle-templated silicas MCM-41, MCM-48, and SBA-15. MCM-41 is described as a regular cylindrical silica nanopore, while SBA-15 is assumed to be made up of cylindrical nanopores that are…
Mechanisms of Mott transitions and d x 2 y 2 -wave superconductivity (SC) are studied in the half-filledband Hubbard model on square lattices with a diagonal hopping term (t 0 ), using an optimization (or correlated) variational Monte Carlo method. In the trial wave functions, a doublon-holon binding effect is introdu…
Identification of nanoparticles in lysine−silica mixtures by SAXS analysis and cryo-TEM (see image) is reported. Initial stages of formation mimic that for tetrapropylammonium− and other alkylammonium−silica nanoparticles. The tunable porosity and morphology of thin films and gels synthesized from these sols have pote…
Experimental results on diffusion in alumina are summarized and critically discussed. The most reliable results are those on volume diffusion in single crystals (sapphire), and are available for a wide variety of substances, including the structural elements oxygen and alumina, water, monovalent cations, and trivalent…
We present a thermodynamically consistent mesoscopic model of protein adsorption at liquid-solid interfaces. First describing the equilibrium state under varying protein concentration of the solution and binding conditions, we predict a non-trivial (non- monotonic) dependence of the experimentally observable propertie…
Thiophenyl-derivatized nitrobenzoic acid ligands have been evaluated as possible sensitizers of Eu(III) and Tb(III) luminescence. The resulting solution and solid-state species were isolated and characterized by luminescence spectroscopy and X-ray crystallography. The Eu(III) complex with 2-nitro-3-thiophen-3-yl-benzo…
Using isotope substitution neutron scattering data, we present a detailed structural analysis of the short and intermediate range structures of the five known forms of amorphous ice. Two of the lower density forms--amorphous solid water and hyperquenched glassy water--have a structure very similar to each other and to…
We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a physical quasiparticle electronic-structure into a non-equilibrium Green's func…
We report the observation of tunneling anisotropic magnetoresistance effect (TAMR) in the epitaxial metal-semiconductor system Fe/GaAs/Au. The observed two-fold anisotropy of the resistance can be switched by reversing the bias voltage, suggesting that the effect originates from the interference of the spin-orbit coup…
The combination of spin transitions and magnetic ordering provides an interesting structure of phase transitions in Prussian blue analogues (PBAs). To understand the structure of stable and metastable states of Co-Fe PBA, it is necessary to clarify free energy as a function of magnetization and the fraction of the hig…
Magnetic anisotropies and magnetization reversal properties of the epitaxial Heusler compound Co2Cr0.6Fe0.4Al deposited on Fe and Cr buffer layers are studied. Both samples exhibit a growth-induced fourfold anisotropy, and magnetization reversal occurs through the formation of stripy domains or 90° domains. During rot…
The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local density $\text{approximation}+\text{Hubbard}$ $U$ $(\mathrm{LDA}+U)$, pseudopotential self-interaction correction (pseudo-SIC), the hybrid functional (combined loc…
Gen Shirane began studying ferroelectrics while he was still based in Japan in the early 1950s. It was therefore natural that when he arrived at Brookhaven and began specialising in neutron scattering that he would devote much of his energy and expertise studying structural phase transitions. We review the ground brea…
The structure of Co3O4 nanoparticles patterned in SBA-15 silicas is studied. With a pore size of 7.3 nm, bundles of oriented particles, with the (400) plane parallel to the hexagonal axis, are revealed by HR-TEM. With decreasng pore sizes, structural modifications, suggested by HR-TEM, are confirmed by XRD and Raman m…
This article describes the fabrication of multiscale porous nanocrystalline TiO 2 monoliths through a one-step method that combines a sol−gel process and phase separation in template-free conditions. A large-dimension monolith with well-defined macropores and a mesostructured anatase-type TiO 2 gel skeleton is spontan…
We introduce and develop two bipolar transport models which are based on appreciably different physical assumptions regarding the distribution function in the energy levels of trap states. In the first model, conduction is described by an effective mobility of the carriers and the accumulation of stored space charge i…