Materials Literature
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A simple and computationally efficient scheme to calculate approximate imaginary-frequency dependent polarizability, hence asymptotic van der Waals coefficient, within density functional theory is proposed. The dynamical dipolar polarizabilities of atoms and molecules are calculated starting from the Thomas-Fermi-von…
We have investigated the electron mobility on field-effect transistors based on PDIF-CN$_{2}$ single crystals. The family of the small molecules PDI8-CN$_{2}$ has been chosen for the promising results obtained for vapour-deposited thin film FETs. We used as gate dielectric a layer of PMMA (spinned on top of the SiO$_{…
We have investigated ultrafast carriers dynamics in crystalline silicon nano-pillars structure using a pump-probe reflectivity method with 800 nm, 150 fs laser pulses and fluence in the range of {17 - 170} mJ/cm^2. Dimensions of the structure allow us to eliminate contribution from the diffusion process to the relaxat…
We report X-ray structural studies of the metal-insulator phase transition in bismuth ferrite, BiFeO3, both as a function of temperature and of pressure (931 oC at atmospheric pressure and ca. 45 GPa at ambient temperature). Based on the experimental results, we argue that the metallic gamma-phase is not rhombohedral…
Time-resolved transmissivity and reflectivity of exfoliated graphene and thin graphite films on a 295 K SiO(2)/Si substrate are measured at 1300 nm following excitation by 150 fs, 800 nm pump pulses. From the extracted transient optical conductivity we identify a fast recovery time constant which increases from approx…
Biodegradable PVA/glycerol-plasticized thermoplastic starch (TPS) and its intumescent flame retardant composites are prepared. Microencapsulated ammonium polyphosphate (MCAPP) was used not only to utilize the charring capacity of the polyhydric compounds but also to restrain the reaction between APP and starch during…
The magnetic field dependence of energy levels in gapped single-layer and bilayer graphene quantum dots (QDs) defined by electrostatic gates is studied analytically in terms of the Dirac equation. Due to the absence of sharp edges in these types of QDs, the valley degree of freedom is a good quantum number. We show th…
In this study, we report an approach for the adsorption and desorption of anionic (sulfonated) dyes from aqueous solution by doped polyaniline. In this study, we have synthesized PANI with two dopants, namely, p-toluenesulfonic acid (PTSA) and camphorsulfonic acid (CSA), and used these to adsorb various dyes. It was f…
ShaEP is a tool for rigid-body superimposition and similarity evaluation of ligand-sized molecules. Molecular overlay methods traditionally work on either substructures, molecular surfaces or interaction fields, or atom-centered Gaussian functions representing the molecular volume. While substructure searches are unli…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTEmission via Aggregation of Alternating Polymers with o-Carborane and p-Phenylene−Ethynylene SequencesKenta Kokado and Yoshiki Chujo*View Author Information Department of Polymer Chemistry, Graduate School of Engineering, Kyoto Univ…
We describe recent theoretical and experimental progress on making objects invisible to detection by electromagnetic waves. Ideas for devices that would once have seemed fanciful may now be at least approximately implemented physically using a new class of artificially structured materials called metamaterials. Maxwel…
A good field to develop new materials with half metallicity is the quaternary Heusler alloys. The preferred route is to combine the compounds that have been already grown in Heusler structure. As a typical example, the quaternary LiMgPdSb-type CoFeMnSi have been investigated in detail. For the quaternary LiMgPdSb-type…
Abstract The water vapor sorption behavior of a range of natural fibers (jute, flax, coir, cotton, hemp, Sitka spruce) has been studied. The data were analyzed using the Hailwood Horrobin model for isotherm fitting and determination of monolayer moisture content. The Hailwood Horrobin model was found to provide good f…
Cluster-assembled materials offer the ability to tune component properties, lattice parameters, and thus coupling of physical properties through the careful selection and assembly of building blocks. Multi-atom clusters have been found to exhibit physical properties beyond those available from the standard elements in…
Here we explore an electrochemical route to prepare ternary Zn 1− x Cd x O (0 < x < 0.15) rod-like nanoparticle aggregates in a solution of ZnCl 2 + CdCl 2 + KCl at a temperature of 75 °C. The longest rod-like nanoparticle aggregates of 10−15 μm can be achieved. X-ray energy dispersive spectroscopy (EDS) results demon…
Abstract A new, well‐designed type of micron‐sized hollow copper spheres was synthesized in this article. The process was performed using ZSM‐5 molecular sieve as a template. It has the prominent advantage in that the various stages of pretreatment for the core material can be omitted because of the inherent nature of…
A new approach to promoting and controlling polymer surface functionalization with acidic or basic polar functional groups is demonstrated and evaluated. Blended polymer films were annealed under pH-buffered conditions, and polar end-functional groups were found to promote surface segregation of the functional polymer…
Abstract SAM im Glashaus : Glasverkapselte selbstorganisierte Monolagen (SAMs) auf durchstimmbaren Gold/Silber‐Nanoschalen wurden als Markierungsreagens für die oberflächenverstärkte Raman‐Streuung (SERS) eingesetzt. Dieses Konzept vereint die spektroskopischen Vorteile einer maximalen Oberflächenbedeckung und der ein…
The effect of substituent group on the binding energy of phosphonic and carboxylic acids to the Cd 6 Se 6 cluster was studied within density functional theory. The binding energies of 12 para-substituted phenylphosphonic acids, 5 para-substituted benzoic acids, and 5 para-substituted benzoates to the Cd 6 Se 6 cluster…
Abstract We report uncertainties in X‐ray photoelectron spectroscopy (XPS) intensities arising from commonly used methods and procedures for subtraction of the spectral background. These uncertainties were determined from a comparison of XPS intensities reported by volunteer analysts from 28 institutions and the corre…