Materials Literature
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Constant-potential electrochemical synthesis of ZnO on metal substrates enables selective formation of either Ohmic or Schottky-barrier contacts. Using a mildly acidic nitrate-based aqueous electrolyte, there is a substrate-dependent deposition potential below which electrodeposited ZnO heterojunctions display Schottk…
The surfaces of epitaxial BaTiO3 films on SrTiO3 substrates were investigated by x-ray reflectivity (XRR) and angle-resolved x-ray photoelectron spectroscopy (ARXPS). It was shown by XRR analysis that there exists a low electron density surface layer (about 87%–93% of the electron density of the underneath BaTiO3 laye…
The photoabsorption spectra of a continuous series of Na(n) clusters (n<or=14, n=20, n=40) have been calculated using a time-dependent density-functional scheme. Accordingly, we present these spectra and show that they are in very good agreement with other theoretically and experimentally obtained photoabsorption spec…
Abstract Three discrete dinuclear copper(II)–lanthanide(III) complexes, namely, [CuLn(mmi) 2 (NO 3 ) 3 (H 2 O) 2 ] [Ln = La ( 1 ), Sm ( 2 )] and [CuGd(mmi) 2 (NO 3 ) 2 (H 2 O) 3 ][NO 3 ] ( 3 ) (Hmmi = 2‐hydroxymethyl‐1‐methylimidazole) were synthesized and structurally characterized by X‐ray diffraction analysis. In t…
Metal-insulator-metal capacitors with high-k Ba[(Ni1∕2,W1∕2)0.1Ti0.9]O3 thin film dielectrics were fabricated by chemical solution deposition technique. High dielectric constant (85), low dielectric loss (0.007), and high breakdown field (∼3.0MV∕cm) at room temperature were achieved. The temperature and frequency depe…
Abstract The thermal behavior of the metallomesogens [Ln(C 12 C 16 dbm) 3 (phen)] (Ln = La, Nd, Eu, Gd, Tb, Dy, Er, Yb; C 12 C 16 dbm = 1‐(4‐dodecyloxyphenyl)‐3‐(4‐hexadecyloxyphenyl)propane‐1,3‐dionate; phen = 1,10‐phenanthroline) was investigated. The complexes of the light lanthanides (Ln = La, Nd) are not mesomorp…
Abstract Three tricyanometalate precursors, (Bu 4 N)[(PhTp)Fe(CN) 3 ] · H 2 O ( 1 ), (Bu 4 N)[(MeTp)Fe(CN) 3 ] ( 2 ), and (Bu 4 N)[( i BuTp)Fe(CN) 3 ] ( 3 ) [Bu 4 N + = tetrabutylammonium cation; PhTp = tris(pyrazolyl)phenylborate; MeTp = methyltris(pyrazolyl)borate; i BuTp = 2‐methylpropyltris(pyrazolyl)borate], were…
Using the density-functional theory combined with the nudged elastic band method, we have calculated migration pathways and estimated the activation energy barriers for the diffusion of Ag ions in low-temperature Ag2S. The activation energy barriers for four essential migrations for an Ag ion, namely, from a tetrahedr…
We have performed time-dependent density functional theory and $GW$/Bethe-Salpeter calculations of the optical properties of a series of CdSe clusters ranging in size from 10 to 82 atoms and passivated by fictitious atoms of half-integer charge. The two methods predict a different character of the optical excitations…
In this study, the mechanical properties, deformation behavior, and fracture modes of iron-silicon melt-spun ribbons are related to changes in silicon composition from 4.5 to 6.5 wt pct and the influence of ordering phase transformations. The as-solidified melt-spun ribbons, which exhibit plasticity even for the Fe-6.…
The crystal structures, filling fraction limits (FFLs), electronic structures, and electrical transport properties for alkali-metal-filled $\mathrm{Co}{\mathrm{Sb}}_{3}$ skutterudites are studied using density functional band-structure calculations. The calculated FFLs in $\mathrm{Co}{\mathrm{Sb}}_{3}$ are more than 6…
Magnetotransport and magnetocaloric properties of polycrystalline Pr0.65(Ca0.7Sr0.3)MnO3 have been studied. Large low field magnetoresistance (∼100% at 75K for 1T field) with high magnetic field sensitivity (∼5000%T−1) has been observed due to the melting of charge ordered state. The system also shows large magnetocal…
Single- and multiphase samples of the n-type half-Heusler NbCoSn were prepared by directional solidification using the optical floating zone melting method, and the thermoelectric properties of these samples were evaluated. NbCoSn has an excellent thermoelectric power which exceeds −250μVK−1 at around 900K and a relat…
An Aurivillius phase bismuth layer‐structured compound potassium bismuth titanate is synthesized using conventional solid‐state processing. It was found that the range of sintering temperature for the potassium bismuth titanate is very narrow. Phase analysis was performed by X‐ray diffraction, and microstructural morp…
Volume 4 focuses on the vibrant research area centering around Biomineralization and its role in Nature and in biomimetic applications. With nearly 2700 references, 14 tables, and more than 140 illustrations, it is an essential resource for scientists working in the wide range from material sciences and inorganic bioc…
A promising way to improve the performance of piezoelectric ceramics is grain orientation by templated grain growth. In this work lead‐based piezoelectric ceramics Pb(Mg 1/3 Nb 2/3 ) 0.68 Ti 0.32 O 3 (PMN–32PT) and Pb(Mg 1/3 Nb 2/3 ) 0.42 (Ti 0.638 Zr 0.362 ) 0.58 O 3 (PMN–37PT–21PZ) ceramics were textured via templat…
Lead-free, piezoelectric thick films of 0.948(K0.5Na0.5)NbO3–0.052LiSbO3 were fabricated by aerosol deposition and the effect of postannealing temperature on the dielectric, ferroelectric, and piezoelectric properties was investigated. The thickness of the films ranged from 5to17μm and highly dense films were obtained…
We report on low temperature photoluminescence studies of ZnO nanowires embedded in different polymers. Comparing the spectra of as-grown and embedded ZnO nanowires, we find a decrease of the deep-level emission and an increase of the near band-edge emission after the embedding process. The near band-edge emission of…
UNLABELLED: Progress in structural biology depends on several key technologies. In particular tools for alignment and superposition of protein structures are indispensable. Here we describe the use of the TopMatch web service, an effective computational tool for protein structure alignment, for the visualization of st…
Optical control of the lateral quantum confinement and number of electrons confined in nanofabricated GaAs/AlGaAs quantum dots is achieved by illumination with a weak laser beam that is absorbed in the AlGaAs barrier. Precise tuning of energy-level structure and electron population is demonstrated by monitoring the lo…