Materials Literature
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Thin films of Sr2B5O9Cl: Eu were deposited on glass plates using spray pyrolysis of aqueous solutions. Films exhibited blue cathodoluminescence and photoluminescence, indicating the films contained Eu2+ rather than Eu3+. A luminance of 76 cd/m2 at 5 kV was obtained for annealed films on glass substrates. The chromatic…
Oxygen exchange at a highly oriented La0.5Sr0.5CoO3−δ thin film prepared on (100) surfaces of an yttria-stabilized zirconia single crystal by pulsed-laser deposition was studied with ac impedance spectroscopy under various temperatures and oxygen partial pressures. Three distinctive features observed in the impedance…
A hybrid molecular-dynamics (MD) and finite-element simulation approach is used to study stress distributions in silicon/silicon-nitride nanopixels. The hybrid approach provides atomistic description near the interface and continuum description deep into the substrate, increasing the accessible length scales and great…
A phenomenological theory is proposed to treat the magnetoelectric (ME) coupling at frequencies corresponding to ferromagnetic resonance in a multilayer composite consisting of alternate layers of piezoelectric and magnetostrictive phases. We discuss two models: (i) a simple two-layer (bimorph) structure and (ii) a ge…
Density functional theory is demonstrated to reproduce the ${}^{13}\mathrm{C}$ and ${}^{11}\mathrm{B}$ NMR chemical shifts of icosahedral boron carbides with sufficient accuracy to extract previously unresolved structural information from experimental NMR spectra. ${\mathrm{B}}_{4}\mathrm{C}$ can be viewed as an arran…
In this paper, we present the derivation of a new type of heat conduction equations, named as the ballistic-diffusive equations, that are suitable for describing transient heat conduction from nano to macroscale. The equations are derived from the Boltzmann equation under the relaxation time approximation. The distrib…
Ordered semiconductor In2O3 nanowire arrays are uniformly assembled into hexagonally ordered nanochannels of anodic alumina membranes (AAMs) by electrodeposition and oxidizing methods. Their microstructures were characterized by x-ray diffraction, scanning electron microscopy, and transmission electron microscopy. A b…
In the previous paper, it was shown that holes doped into BaBiO3 self-trap as small polarons and bipolarons. These point defects are energetically favorable partly because they undo locally the strain in the charge-density-wave (Peierls insulator) ground state. In this paper the neutral excitations of the same model a…
BaBiO3 is a prototype ``charge ordering system'' forming interpenetrating sublattices with nominal valence Bi(3+) and Bi(5+). It can also be regarded as a three-dimensional version of a Peierls insulator, the insulating gap being a consequence of an ordered distortion of oxygen atoms. When holes are added to BaBiO3 by…
This paper presents a brief review on the reported anisotropic properties of MgB2, in the superconducting state (e.g. upper critical field Hc2, field penetration depth, coherence length, energy gap) as well as in the normal state (e.g., magnetoresistance, compressibility, thermal expansion). So far, the reported resul…
Using the Langmuir Blodgett (LB) technique, monolayers of spherical polymer particles were investigated at the air−water interface. In this study, LB methods were used to examine particle interactions, packing, morphology, and viscosity of polymer films. Films composed of polymer microgels (diameters of 113−427 nm) ha…
The CO interaction with Au + /dealuminated H-mordenite as well as with the nondealuminated samples, at room temperature, after evacuation at different temperatures (343, 393, 453, and 573 K) has been studied by in situ Fourier transform infrared spectroscopy. The Au + −CO band at 2192 cm -1 of the dealuminated sample…
Isotactic (it-) poly(methyl methacrylate) (PMMA) and syndiotactic (st-) poly(ethyl methacrylate) (PEMA) and poly(propyl methacrylate) (PPMA) were synthesized by anionic polymerization in toluene at −78 °C with t- C 4 H 9 MgBr and t- C 4 H 9 Li/(C 2 H 5 ) 3 Al, respectively, as initiators/coordinators. Combined it- and…
The adsorption of CO (1% CO/He mixture, 1 atm total pressure) in the presence of several gases is studied on a reduced 2.9% Pt/Al 2 O 3 catalyst in the 300−740 K temperature range by using Fourier transform infrared spectroscopy. A strong IR band is observed at 2075 cm - 1 in the absence of a second gas associated to…
The aim of this paper is to dissect the hierarchical structures of BaTiO 3 particles into primary, secondary, tertiary, and quaternary structural levels and to thoroughly review the corresponding structure−ferroelectricity relationships at all levels. This analytical framework is of growing importance for the fundamen…
The use of nanometer-sized gold particles as templates for the synthesis of hollow poly(pyrrole), poly( N -methylpyrrole), and poly(3-methylthiophene) is described in this paper. Diffusion coefficients of small molecules through the capsule shell were found to vary by almost 3 orders of magnitude depending on the poly…
Zinc(II) and cadmium(II) coordination networks with m -pyridinecarboxylate bridging ligands, Zn(nicotinate) 2, 1, Cd(nicotinate) 2, 2, Cd{3-[2-(4-pyridyl)ethenyl]benzoate} 2, 3, Zn 4 {3-[2-(4-pyridyl)ethenyl]benzoate} 8 ·{3-[2-(4-pyridyl)ethenyl]benzoic acid}·(H 2 O), 4, Zn{4-[2-(3-pyridyl)ethenyl]benzoate} 2 ·H 2 O,…
We present a method for obtaining well-localized Wannier-like functions (WFs) for energy bands that are attached to or mixed with other bands. The present scheme removes the limitation of the usual maximally-localized WFs method (N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997)) that the bands of interest s…
Rhodium auf einem Titanoxid/Siliciumoxid-Träger wird durch 1 modelliert, das aus [{Cp*TiMe(μ-O2SiPh2)}2] 2 und [{Rh(OH)(cod)}2] hergestellt werden konnte. 2 und sein dreifach verbrücktes Derivat [Cp*Ti(μ-O2SiPh2)3TiCp*] 3 können als molekulare Modelle des Titanoxid/Siliciumoxid-Systems angesehen werden. Die Verbindung…
1,2-Diaminoethane (en) and FeCl3 give (enH2) [FeCl5(H2O)] (1) in concentrated HCl, extending the aquapentachloroferrate(III) series. For 1: C2H12N2Cl5OFe, orthorhombic, P2(1)2(1)2(1), a = 14.531(6) A, b = 10.772(4) A, c = 6.888(2) A, Z = 4. Diazabicyclo[2.2.2]octane dihydrochloride (DABCO-2HCl) and FeCl3 in concentrat…