Materials Literature
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The dislocation width and Peierls barrier and stress have been calculated by the improved Peierls-Nabarro (PN) theory for silicon. In order to investigate the discreteness correction of a complex lattice quantitatively, a simple dynamics model has been used in which interaction attributed to a variation of bond length…
An n=7 Aurivillius phase, Sr4Bi4Ti7O24, with c=6.44 nm, was synthesized as an epitaxial (001)-oriented film. This phase and its purity were confirmed by x-ray diffraction and transmission electron microscopy. The material is ferroelectric, with a Pr=5.3 μC/cm2 oriented in the (001) plane and a paraelectric-to-ferroele…
A Reply to the Comment by A. Serra, D. J. Bacon, and R. C. Pond.Received 16 November 2009DOI:https://doi.org/10.1103/PhysRevLett.104.029604©2010 American Physical Society
A Hubbard-corrected spin-projected two-determinant approach, EBS+Uscf, is introduced to treat low-spin ground states of antiferromagnetically coupled transition metal complexes. In addition to providing access to total energies, forces, and ab initio simulations, it allows one to readily compute Heisenberg's exchange…
Abstract An ionic liquid (IL) was synthesized and incorporated into polypropylene (PP) via melt blending. The structure of the IL was confirmed by infrared spectroscopy and NMR spectroscopy. The volume resistance of neat PP and PP/IL blends indicated that the IL had excellent antistatic properties. The tensile strengt…
Not guilty—the cluster was framed! We report the proof of principle for an approach toward a novel type of inorganic–organic hybrid compound. Compound [Mn2{(OOCC2H4Ge)4S6}(MeOH)(dmf)2] is constructed by inorganic cages (Ge4S6) that are linked through terminal COO− donor groups by Mn2+ ions within zigzag chains of corn…
We review our approach to the generation of nanoporous materials, both semiconducting and metallic, which leads to the existence of nanopores within the bulk structure. This method, which we have named as the expanding lattice method, is a novel transferable approach which consists first of constructing crystalline su…
The structure and adsorption behaviors of two types of hydrophobically modified polyvinylamines (PVAm) containing substituents of hexyl and octyl chains were compared to a native polyvinylamine sample. The conformation of dissolved polyvinylamines was studied in aqueous salt solutions using dynamic light scattering. M…
A novel biological path for position-controlled vertical growth of individual carbon nanotubes (CNTs) is presented. Catalysts of iron oxide nanoparticles (NPs, φ7 nm) for CNT growth were synthesized homogeneously using a cage-shaped protein, apoferritin. Optimized electrostatic interaction between the protein cage and…
Abstract The effect of the combination of a UV absorber (Chimassorb 81) with different types of thermal stabilizers, including an organic calcium complex and an organotin mercaptide, on the photodegradation of poly(vinyl chloride) (PVC) was investigated by color difference measurements, UV–Vis spectroscopy, Fourier‐tr…
We have investigated the transport properties and electronic states of W-doped anatase TiO2 (Ti1−xWxO2) fabricated by pulsed-laser deposition. Based on transport and photoemission spectroscopy (PES) measurements, we discuss the conduction mechanism of Ti1−xWxO2, focusing on the valence state of W. The Ti0.95W0.05O2 fi…
The influence of the alumina layer nature which acts as the support on the preparation of structured catalysts and on the catalytic performance in VOC combustion was studied. Anodized aluminum and a ferritic alloy covered with colloidal alumina (Nyacol) and θ−δ-Al 2 O 3 were the materials used to prepare the monolith…
The process of nanocontact including indentation and retraction between a large Ni tip and a Cu substrate is investigated using quasicontinuum (QC) method. The multiscale model reveals that significant plastic deformation occurs during the process of nanocontact between Ni tip and Cu substrate. Plastic deformation is…
Metamaterials with metallic wire-gird structures support extremely low frequency plasmons and their electromagnetic responses exhibit metallic characteristics described by the Drude model. In this paper, we have investigated the electromagnetic responses of the wire-grid structures in the terahertz frequency range whe…
We examine the special case of spectroscopic ellipsometry measurements in the vicinity of the fundamental absorption edge of wurtzite ZnO and GaN when the optic axis is perpendicular to the sample surface. It is demonstrated, both by calculations and direct experimental data, that the isotropic dielectric function (DF…
Abstract Due to its exciting physical properties and sheet‐like geometry graphene is in the focus of attention both from the point of view of basic science and of potential applications. In order to fully exploit the advantage of the sheet‐like geometry very high resolution, crystallographicaly controlled lithography…
The reaction of CuCl(2) with H(2)Meppz and a base under low temperature gave rise to a heptanuclear copper compound, in which a novel ligand 2,2'-bis(H(2)Meppz) (H(4)L') was obtained through in situ C-C coupling.
Intrinsic ferromagnetism at room temperature has been observed in ZnO/sapphire films by implantation of 200 keV Ni2+ ions with fluences 6×1015, 8×1015, 1×1016, and 2×1016 ions/cm2. Crystalline phases are identified by glancing angle x-ray diffraction, which shows no extra phase in the implanted films. Highest saturati…
Abstract The reaction of copper(II)–praseodymium(III) 3d–4f precursors with nitrogenated ligands yields to a 3d–4f–4f–3d pseudo‐1D compound with the formula {[{Cu(salen)}{Pr(hfac) 3 } 2 (pyz)](H 2 O) 3 } (pyz = pyrazole). A “comparative method” was used to determine the nature of the magnetic interactions in this magn…
Using molecular dynamics (MD) simulations, we focus on the influences of different solid surfaces and functional groups on the collapse of single-walled nanotubes (14, 14) (SWNTs). The results show that the SWNTs can fully collapse on Fe, Ni, and graphite surfaces, which may attribute to the strong metallicity of thes…