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 crystal structure of type III KGd(PO 3 ) 4 has been solved, and the related data are presented in this paper. KGd(PO 3 ) 4 (KGP) is monoclinic and has P 2 1 as space group. Its cell parameters are a = 7.255(4) Å, b = 8.356(5) Å, c = 7.934(5) Å, β = 91.68(5)°, and Z = 2. KGP is characterized by infinite polyphospha…
A new asymmetrically coordinated bis-trinuclear iron(III) cluster containing a [Fe(3)O](7+) core has been synthesized and structurally, magnetically, and spectroscopically characterized. [Fe(6)Na(2)O(2)(O(2)CPh)(10)(pic)(4)(EtOH)(4)(H(2)O)(2)](ClO(4))(2).2EpsilontOH (1.2EpsilontOH) crystallizes in the P space group an…
Formation of spontaneous polarization in one-dimensional (1D) structures is a key phenomenon that reveals collective behaviors in systems of reduced dimensions, but has remained unsolved for decades. Here we report ab initio studies on finite-temperature structural properties of infinite-length nanowires of Pb(Zr0.5Ti…
Abstract Two iron( II ) complexes, namely [Fe 4 (L) 2 ] · H 2 O ( 1 ) and [Fe 10 (L) 4 Cl 4 ] · 2H 2 O ( 2 ), have been synthesised under solvothermal conditions by treating p ‐ tert ‐butylthiacalix[4]arene (LH 4 ) with FeCl 2 in methanol. Compound 1 crystallises in the orthorhombic system (space group Immm ) with the…
Abstract A Haake torque rheometer equipped with an internal mixer has been used to study the influence of microscale calcium carbonate (micro‐CaCO 3 ) and nanoscale calcium carbonate (nano‐CaCO 3 ) on the fusion, thermal, and mechanical characteristics of rigid poly(vinyl chloride) (PVC)/micro‐CaCO 3 and PVC/nano‐CaCO…
It is shown that nanopores are formed during desorption of NH3 from Mg(NH3)6Cl2, which has been proposed as a hydrogen storage material. The system of nanopores facilitates the transport of desorbed ammonia away from the interior of large volumes of compacted storage material. DFT calculations show that there exists a…
Crystallization processes in indomethacin can be observed below Tg leading to different forms depending on the thermal treatment: a rapid and deep quench below Tg leads to the metastable alpha-phase and a slow cooling close to Tg gives rise to the stable gamma-phase. To understand this atypical behavior, we have studi…
A new series of [mu-tris-{1,n-bis(tetrazol-1-yl)alkane-N4,N4'}iron(II)] bis(perchlorate) spin-crossover coordination polymers ([Fe(nditz)3](ClO4)2]; n = 4-9) has been synthesised and characterised. The ditetrazole bridging ligands provide octahedral symmetry at the iron(II) centres while allowing the distance between…
Magnetic and dielectric properties have been investigated for a mixed-crystal system ${\mathrm{Tb}}_{1\ensuremath{-}x}{\mathrm{Gd}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}$ in between $\mathrm{Tb}\mathrm{Mn}{\mathrm{O}}_{3}$ with ferroelectric and incommensurate antiferromagnetic (AFM) orders and $\mathrm{Gd}\mathrm{Mn}{\mathr…
Ab initio density-functional calculations have been used to investigate the molecular adsorption of NO on the close-packed surfaces of late transition metals (Co, Ni, Ru, Rh, Pd, Ir, Pt) and noble metals (Cu, Ag, Au). The energetics, geometry, and vibrational properties of the adsorbate–substrate complex have been cal…
A simple method for the formation of molecular recognition sites in polymer nanofibers was developed. Electrospun nanofibers were prepared from a solution mixture of poly(ethylene terephthalate) (PET) and polyallylamine in the presence of a template molecule, 2,4-dichlorophenoxyacetic acid (2,4-D). The polyamine was u…
We have investigated the changes produced in single-element and two-layer transmission electron microscope (TEM) specimens irradiated by an intense nanometer-sized electron probe, such as that produced in a field-emission or aberration-corrected TEM. These changes include hole formation and the accumulation of materia…
Abstract Nanocomposites were processed by melt blending two reference matrices, a metallocene polyethylene and a low density maleic anhydride‐grafted polyethylene with an organo‐modified montmorillonite. It was shown that the introduction of a maleated polyethylene compatibilizer was required to improve the clay nanop…
A new Monte Carlo program, Win X-ray, is presented that predicts X-ray spectra measured with an energy dispersive spectrometer (EDS) attached to a scanning electron microscope (SEM) operating between 10 and 40 keV. All the underlying equations of the Monte Carlo simulation model are included. By simulating X-ray spect…
Commonly used ferroelectric perovskites are also wide-band-gap semiconductors. In such materials, the polarization and the space-charge distribution are intimately coupled, and this Letter studies them simultaneously with no a priori ansatz on either. In particular, we study the structure of domain walls and the deple…
The stacking of positively charged (or doped) terthiophene oligomers and quaterthiophene polymers in solution is investigated applying a recently developed unified electrostatic and cavitation model for first-principles calculations in a continuum solvent. The thermodynamic and structural patterns of the dimerization…
The bonding, cohesive, and electronic properties of hexagonal boron nitride were studied using density functional theory calculations. The properties of this system were calculated using three different exchange–correlation functionals (local density approximation and two forms of the generalized gradient approximatio…
The temperature dependence of the frequency dispersion in the sound velocity and damping of vitreous silica is reanalyzed. Thermally activated relaxation accounts for the sound attenuation observed above 10 K at sonic and ultrasonic frequencies. Its extrapolation to the hypersonic regime reveals that the anharmonic co…
This series discusses the origin of sound damping and dispersion in glasses. In particular, we address the relative importance of anharmonicity versus thermally activated relaxation. In this first article, Brillouin-scattering measurements of permanently densified silica glass are presented. It is found that in this c…
Negative refraction, which reverses many fundamental aspects of classical optics, can be obtained in systems with negative magnetic permeability and negative dielectric permittivity. This Letter documents an experimental realization of negative refraction at millimeter waves, finite magnetic fields, and cryogenic temp…