Materials Literature
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We investigate the deformation behavior of bimetallic and trimetallic nanoscale multilayer metallic composites under biaxial loading using molecular dynamics. Three types of structures were studied: (a) Cu–Ni fcc/fcc bilayer, (b) Cu–Nb fcc/bcc bilayer, and (c) Ni–Cu–Nb fcc/fcc/bcc trilayer. A configuration with a disl…
The reaction of Cp(x)(2)ZrCl(2) (Cp(x) = Cp, Cp*) with ammonia borane in presence of n-butyllithium yielded Cp(2)Zr(Cl)NH(2)BH(3) and Cp(x)(2)Zr(H)NH(2)BH(3). These derivatives are isoelectronic with the ethyl zirconocene chloride and hydride, respectively, and feature a chelating amidoborane ligand coordinating throu…
Polymerization-induced spinodal decomposition was conducted in glycolic solutions of phloroglucinol/formaldehyde copolymer and poly(ethylene oxide)−poly(propylene oxide)−poly(ethylene oxide) (PEO−PPO−PEO) to synthesize bicontinuous macroporous morphologies with microdomains from 0.5 to 6 μm. The polymeric materials we…
Zusammenfassung 1. Die Besiedlung der deutschen Nordseeküste durch acoele Turbellarien wurde in den Jahren 1962–1965 von den Stationen Juist, Wilhelmshaven, Helgoland und List aus studiert. 2. Der untersuchte Raum umfaßt das Eulitoral und das Sublitoral. Die größte Wassertiefe wurde mit 53 m in der Tiefen Rhine bei He…
Lead-free bilayered thin films consisting of BiFeO3 (BFO) and (Bi1/2Na1/2)TiO3 (BNT) nanolayers were deposited on the Pt/TiO2/SiO2/Si substrate by radio frequency sputtering. The bilayered BFO/BNT film exhibits a strong (111) orientation and much enhanced ferroelectric and magnetic properties (2Pr=52.2 μC/cm2, 2Ec=554…
The dispersion of transition and alkaline-earth metals on defective graphenes is studied using first-principles calculations. The effect of vacancy defects on binding properties of metal atoms to the graphene and with hydrogen molecules is particularly investigated. It is shown that vacancy defects enhance efficiently…
In order to ensure efficient utilization of the solar spectrum, photosynthetic organisms use a variety of antenna chromophores to absorb light and transfer excitation to a reaction center, where photoinduced charge separation occurs. Reported here is a synthetic molecular heptad that features two bis(phenylethynyl)ant…
This work presents variation of oxidative catalytic activities of methanol and formic acid on Pt nanoparticles of various sizes and a comparison to the results observed on Pt(111), Pt(100), and polycrystalline Pt. The Pt nanoparticles dispersed on platelet carbon nanofiber are cuboctahedral particles, whose sizes span…
We present a theoretical study of radiative heat transport in nonlinear solid-state quantum circuits. We give a detailed account of heat rectification effects, i.e., the asymmetry of heat current with respect to a reversal of the thermal gradient, in a system consisting of two reservoirs at finite temperatures coupled…
Photoactive material consisting of heterogeneous Ag–ZnO nanowires (NWs) was prepared by electrospinning. Tunable UV photodetectors fabricated using Ag–ZnO NWs have shown high sensitivity up to over four orders of magnitude with relatively fast and stable response speed. The mechanism for this colossal photoconductivit…
KORRIGAN1 (KOR1) is a membrane-bound cellulase implicated in cellulose biosynthesis. PttCel9A1 from hybrid aspen (Populus tremula L. x tremuloides Michx.) has high sequence similarity to KOR1 and we demonstrate here that it complements kor1-1 mutants, indicating that it is a KOR1 ortholog. We investigated the function…
The atomic and electronic structures of a graphene layer on top of the $(2\ifmmode\times\else\texttimes\fi{}2)$ reconstruction of the SiC $(000\overline{1})$ surface are studied from ab initio calculations. At variance with the (0001) face, no C buffer layer is found here. Si adatoms passivate the substrate surface so…
We present evidence for spin-polarized charge carriers in ${\text{In}}_{2}{\text{O}}_{3}$ films. Both ${\text{In}}_{2}{\text{O}}_{3}$ and Cr doped ${\text{In}}_{2}{\text{O}}_{3}$ films exhibit room-temperature ferromagnetism after vacuum annealing, with a saturation moment reaching approximately $0.5\text{ }\text{emu}…
The forces between charged macromolecules, usually given in terms of osmotic pressure, are highly affected by the intervening ionic solution. While in most theoretical studies the solution is treated as a homogeneous structureless dielectric medium, recent experimental studies concluded that, for a bathing solution co…
The mechanism of spin-pumping, described by Tserkovnyak et al., is formally analyzed in the general case of a magnetic multilayer consisting of two or more metallic ferromagnetic (FM) films separated by normal metal (NM) layers. It is shown that the spin-pumping-induced dynamic coupling between FM layers modifies the…
We study the electronic structure of the junctions between a single graphene layer and carbon nanotubes, using a tight-binding model and the continuum theory based on Dirac fermion fields. The latter provides a unified description of different lattice structures with curvature, which is always localized at six heptago…
We compare, through first-principles pseudopotential calculations, the structural, electronic, and optical properties of different size silicon nanoclusters embedded in a ${\text{SiO}}_{2}$ crystalline or amorphous matrix with that of freestanding, hydrogenated, and hydroxided silicon nanoclusters of corresponding siz…
The problem of Dirac fermions in graphite subject to a perpendicular magnetic field is studied. We show analytically that the weak inter-layer interaction between the graphene sheets leads to anomalies in the Shubnikov-de Haas and de Haas-van Alphen magneto-oscillations governed by the orbits around extremal cross-sec…
Compared to single-walled carbon nanotubes (SWNTs) and more defective multiwalled carbon nanotubes (MWNTs), the thin few-walled carbon nanotubes (FWNTs) are believed to have extraordinary mechanical properties. However, the enhancement of mechanical properties in FWNTs-polymer composites has remained elusive. In this…
A “co-precipitation” method was applied to introduce nanosized Co- and Ni-based catalysts to ammonia borane. It was observed that approximately 1 equiv. of hydrogen was evolved from the doped ammonia borane samples at a temperature as low as 59 °C. Moreover, the catalytic dehydrogenation did not present any induction…