Materials Literature
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We investigate charge transport through a vertical semiconductor-graphene-semiconductor heterostructure with quantum simulations using an atomistic tight-binding Hamiltonian within the nonequilibrium Green's function formalism. We show that the normal transmission coefficient and therefore the current through the hete…
In a lossy media, anisotropic chiral metamaterial (MTM) structures with normal incidence asymmetric transmission of linearly polarized electromagnetic (EM) waves are investigated and analyzed in both microwave and terahertz frequency regimes. The proposed lossy structures are used to perform dynamic polarization rotat…
In this work, a potential semiorganic nonlinear optical candidate NH4B[D-(+)-(C4H4O5)]2·H2O (NBC) has been studied using Density Functional Theory. The origin of the second harmonic generation (SHG) effect of NBC crystals for the NH4B[D-(+)-(C4H4O5)]2·H2O molecular complex is explained by employing a combination of th…
Oxide-on-metal particles with exposed interfaces exhibit wealthy structures and functions, but their facile synthesis remains as a challenge. Herein we report a facile O 2 -assisted hydrothermal method to synthesize CeO 2 -on-Ag particles with different CeO 2 thicknesses. In this novel approach Ag particles catalyze t…
The local structure of ${\mathrm{K}}_{0.5}{\mathrm{Na}}_{0.5}\mathrm{Nb}{\mathrm{O}}_{3}$ is investigated using first-principles methods with an optimized special quasirandom structure (SQS). Through a comparison of the computed pair distribution functions with those from neutron powder diffraction data, the SQS appro…
Template-derived carbon is demonstrated to effectively promote the creation of strong basicity on mesoporous silica, for the first time. New materials owning ordered mesoporous structure, strong basicity, and excellent catalytic activity are thus successfully constructed at low temperatures, which are impossible to ac…
ABSTRACT Several metals and alloys are susceptible to corrosion attack and this usually implies the accurate selection of a specific material depending on the working conditions and the characteristics of the environment to which it will be exposed to. However, it could represent a restriction at the same time because…
The crystal structure and ionic conductivity properties of a novel microcrystalline Sr 11 Mo 4 O 23 ceramic material are presented. This material has been prepared by thermal treatment up to 1473 K, in air, of previously decomposed citrate precursors. The complex crystal structure was refined from combined X-ray powde…
We have studied the thermoelectric properties of nanostructured YbAgCu4 materials. A high power factor of ∼131 μW cm(-1) K(-2) has been obtained at 22 K for nanostructured samples prepared by ball milling the arc melted ingot into nanopowder and hot pressing the nanopowder. The implementation of nanostructuring method…
Phasins are a group of proteins associated to granules of polyhydroxyalkanoates (PHAs). Apart from their structural role as part of the PHA granule cover, different structural and regulatory functions have been found associated to many of them, and several biotechnological applications have been developed using phasin…
The fabrication process and characterization of composite step-index fibers with a large refractive index difference (Δn = 0.336 at 1.54 μm) between the tellurite glass-made core and the germanate-tellurite glass-made cladding are presented. In order to fabricate these composite fibers, the composition of the cladding…
Oxygen-containing, chemically modified graphene (CMG) systems have been intensively investigated for various applications. The development of methods that allow fine control of the oxygen functionality would help better understand the mechanisms associated with CMGs, facilitate optimization of the material properties,…
Abstract In an attempt to mimic properties of the polyanionic nanofibrous cortical layer (ectoplasm) of nerve, tube‐shaped poly(acrylic acid) ( PAA ) nanofiber constructs were prepared via electrospinning. The influence of processing parameters on the morphology of the electrospun PAA nanofibers was systematically inv…
We theoretically propose a temporal cloaking scheme based on accelerating wave packets. A part of a monochromatic light wave is endowed with a discontinuous nonlinear frequency chirp, so that two opposite accelerating caustics are created in space-time as the different frequency components propagate in the presence of…
Although ADP release is the rate limiting step in product turnover by protein kinase A, the steps and motions involved in this process are not well resolved. Here we report the apo and ADP bound structures of the myristylated catalytic subunit of PKA at 2.9 and 3.5 Å resolution, respectively. The ADP bound structure a…
First-principles spin-polarized density functional theory (DFT) investigations of the structural, electronic, magnetic, and thermodynamics characteristics of the half-Heusler, CoMnTe and RuMnTe compounds are carried out. Calculations are accomplished within a state of the art full-potential (FP) linearized ( L ) augme…
Thermotropic phase boundaries (TPBs), as thermal analogs of morphotropic phase boundaries (MPBs), are associated with the thermal inter-ferroelectric phase transitions. Similar to an MPB, a TPB exhibits a characteristically flattened energy profile which favors polarization rotation, thus giving rise to a structurally…
Investigations on the wetting, solubility and chemical composition of plasma polymer thin films provide an insight into the feasibility of implementing these polymeric materials in organic electronics, particularly where wet solution processing is involved. In this study, thin films were prepared from 1-isopropyl-4-me…
Advances reported over the last few years and the increasing availability of protein crystal structure data have greatly improved structure-based druggability approaches. However, in practice, nearly all druggability estimation methods are applied to protein crystal structures as rigid proteins, with protein flexibili…
The morphological appearance, fiber diameter, and structure of poly(ε‐caprolactone) (PCL) nanofibers produced by the electrospinning process were studied in the presence of different amounts of graphene oxide (GO) with different oxidation levels. Scanning electron microscope micrographs of electrospun fibers showed th…