Materials Literature
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We present a study of Förster resonance energy transfer (FRET) between two emissive conjugated polyelectrolytes (CPEs) in layer-by-layer (LbL) self-assembled films as a means of examining their organization and architecture. The two CPEs are a carboxylic acid functionalized polyfluorene (PFl-CO(2)) and thienylene link…
The interaction between iodine and polyethylene has been studied through the use of density functional theory (DFT) with the purpose of explaining the physical basis behind the increase in the conductivity of polyethylene upon doping with iodine. The interaction between polyethylene and various Instable configurations…
Single-walled carbon nanotubes are usually synthesized by catalytic growth driven by reaction of a precursor gas over metallic nanoparticles supported on a substrate. Here we use molecular dynamics simulations (MD) with the purpose of determining how the catalyst−substrate strength of adhesion influences the structure…
We study the collective modes of the quantum Hall states in undoped bilayer graphene in a strong perpendicular magnetic and electric field. Both for the well-known ferromagnetic state that is relevant for small electric field ${E}_{\ensuremath{\perp}}$ and the analogous layer polarized one suitable for large ${E}_{\en…
We studied the interfacial spin-dependent scattering in Co2Fe(Al0.5Si0.5)/Ag/Co2Fe(Al0.5Si0.5) current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) devices. A large contribution of the interfacial scattering was evidenced by the small interfacial resistance of ARF/N ∼0.25 mΩμm2 and the large interfacial sc…
Rare earth-activated glass-ceramic waveguides constitute a potential significant system to behave as an effective optical medium for light propagation and luminescence enhancement. We present a review on fabrication and optical, structural, and spectroscopic characterization of some kind of rare earth activated oxide…
Two clusters with a new type of Fe(III)(7) disklike structure have been prepared; in contrast to other Fe(III)(7) disks, they possess high ground-state spins (S = (15)/(2) and (21)/(2)), which have been rationalized by analysis of the spin-frustration patterns.
This paper presents an improved dynamic model based on the finite element method (FEM) for predicting ac critical flashover voltage (FOV) of ice-covered insulators during the melting period. The first improved FEM model is based on the Obenaus/Rizk model, and deals with the case of a single arc established on an ice s…
Abstract In order to utilize the excellent mechanical properties of cellulose whiskers (CWs) along their length, the present work was undertaken to embed CWs with highly oriented forms in a polymer matrix. Nanocomposite fibers were prepared using poly(vinyl alcohol) (PVA; degree of polymerization of 1500) as the matri…
Four crystal structures are solved from precession electron diffraction data using either the highest-quality experimental data available or voluntarily deteriorated data. The data quality was lowered by changing the intensity of each individual reflection by as much as a factor of 2, even for strong reflections, whil…
Objective molecular dynamics simulations combined with an effective-tensional-strain concept provide a new theory for describing the electromechanical properties of nonideal twisted structures of graphene nanoribbons. It is shown that from the effective-strain perspective, the twist-induced bandgap modulations in grap…
Optical constants of thin metal films are strongly dependent on deposition conditions, growth mode, and thickness. We propose a universal characterization approach that allows reliable determination of thin metal film optical constants as functions of wavelength and thickness. We apply this approach to determination o…
Isotropic chemical shifts and quadrupole coupling parameters of 77 Se and 73 Ge nuclei in GeSe 2 and GeSe 4 glasses are determined through density-functional NMR calculations on amorphous model structures generated by ab initio molecular dynamics. The comparison with experimental NMR spectra enables structural assignm…
The present study investigates cellulose phosphate from oil palm biomass (OPEFB-CP) as a potential biomaterial. To this effect, oil palm biomass microcrystalline cellulose (OPEFB-MCC) was phosphorylated using the H3PO4/ P2O5/ Et3PO4/ hexanol method. Characterization of OPEFB-CP was performed using Scanning Electron Mi…
Structurally similar, magnetically diverse: The exchange and Zeeman parameters of two dimetallic, six-coordinate cobalt(II) compounds—i.e., with orbitally degenerate metal ions—have been determined by a combination of high-resolution EPR and INS spectroscopies, together with ab intio calculations. It is suggested that…
Abstract A new class of biodegradable copolyesters was synthesized by the catalyst‐free melt condensation of sorbitol with citric acid, tartaric acid, and sebacic acid. The resulting polymers were designated as poly(sorbitol citric sebacate) [p(SCS)] and poly(sorbitol tartaric sebacate) [p(STS)]. The synthesized polym…
The effect of narrow-band 172 nm and broad-band >200 nm UV sources in the new curing scheme of the plasma-enhanced chemical vapor deposition (PECVD) dielectrics is studied. The new curing scheme is based on porogen removal (organic sacrificial phase introduced to generate open porosity) from PECVD dielectric be…
Abstract We report in this article the results of nanosilica (SiO 2 )‐filled epoxy composites with different loadings and their electrical, thermal, mechanical, and free‐volume properties characterized with different techniques. The morphological features were studied by transmission electron microscopy, and different…
The structural and electronic properties of Zn 2 SnO 4 under high pressure have been investigated using the density functional formalism under the nonlocal B3LYP approximation. We have determined its stability against decomposition to ZnO and SnO 2 mixture, as well as toward recently observed orthorhombic phases, simi…
Geben und nehmen: X- oder H-förmige Superamphiphile bilden sich auf Basis gerichteter Ladungstransferkomplexe und führen zur Bildung eindimensionaler Nanostäbe und zweidimensionaler Nanoblätter (siehe Bild, blau: Pyridinium-Ion, rot: Naphthalinderivate, grün: Naphthalindiimid). Die Überstrukturen bilden sich als Folge…