Materials Literature
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Dithiodiolate ligands were synthesized by reacting 1,2-ethanedithiol or 1,2-benzenedithiol with 2,2-bis(trifluoromethyl)oxirane, led selectively to mononuclear octahedral group 4 complexes of the type [{OSSO}M(OR)(2)], which features C(2) symmetry and fluxional behavior, and were highly active in the ring-opening poly…
Electrospun polyacrylonitrile (PAN) nanofibers were successfully coated with polypyrrole (PPy) or poly(3,4-ethylenedioxythiophene) PEDOT layers. To obtain ultrathin coatings on highly porous nanofibrous webs, we adapted a two-step vapor-phase coating process usually used to produce ultrathin films. Ferric tosylate (Fe…
This article summarizes the results of an investigation on the effect of the colemanite on physical and mechanical properties of concrete using colemanite as replacement aggregate.
Porous sol−gel silica films are prepared using different PMMA latex nanoparticles, 30−80 nm in diameter, as sacrificial templates. By changing the size and the content of the latex particles in the deposited silica sol, it was possible for the first time to tailor the porosity of the sol−gel films (uniform pore size a…
A transflective display includes pixels each including a reflective (R) sub-pixel, a transmissive (T) sub-pixel, and electrodes having features to cause multiple domains to form in a liquid crystal layer of the R sub-pixel and the T sub-pixel. The electrodes in the R sub-pixels have features that are different from fe…
We predicted highly stable Cu-decorated zigzag graphene nanoribbons (ZGNRs) containing planar tetracoordinate carbon (ptC) strip(s). The computed electronic band structures suggest that the Cu-decorated ZGNRs are semiconducting. The Hirshfeld spin analysis suggests significant spin distribution at the edge ptC atoms.…
Gold nanorods were synthesized using a seed-mediated wet chemical approach with a quaternary ammonium surfactant, cetyltrimethylammonium bromide (CTAB), that forms a bilayer on the surface of the nanorods. The CTAB molecules in the bilayer were exchanged with a similar polymerizable analog, 11-(acryloyloxy) undecyltri…
We present first-principles transport calculations of graphene nanoribbons with chemically reconstructed edge profiles. Depending on the geometry of the defect and the degree of hydrogenation, spectacularly different transport mechanisms are obtained. In the case of monohydrogenated pentagon (heptagon) defects, an eff…
Gapped rods provide a unique platform for elucidating structure/function relationships, both for single-molecule electrochemical techniques and for surface-enhanced Raman scattering (SERS). This paper attempts to elucidate the dependence of SERS intensities on gap topography and gap distance for gold gapped rods with…
Recombination of minority carriers in heavily doped n-InP wafers has been investigated using spectral and time-resolved photoluminescence at different temperatures. Studies of the transmitted luminescence were enabled by the partial transparency of the samples due to the Moss-Burstein effect. Temporal evolution of the…
Discoveries of graphene and graphane possessing unique electronic and magnetic properties offer a bright future for carbon based electronics, with future prospects of superseding silicon in the semiconductor industry.
We calculate the phonon density of states (DOS) for strongly amorphous materials with a short-ranged interatomic potential. Exponentially decaying and abruptly truncated interatomic potentials are examined. Thermally excited mean square deviations from equilibrium are calculated with rapid increases noted as the avera…
We perform density-functional-theory calculations to determine the equilibrium shape of graphene flakes as a function of temperature and hydrogen partial pressure. To do this, we first determine the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a monotonical…
Aligned, ultralong single-walled carbon nanotubes (SWNTs) represent attractive building blocks for nanoelectronics. The structural uniformity along their tube axis and well-ordered two-dimensional architectures on wafer surfaces may provide a straightforward platform for fabricating high-performance SWNT-based integra…
We investigated the optical spectrum of $\text{Ba}{({\text{Fe}}_{1\ensuremath{-}x}{\text{Co}}_{x})}_{2}{\text{As}}_{2}$ single crystals with various doping levels. It is found that the low-energy optical conductivity spectrum of this system can be decomposed into two components: a sharp Drude term and a broad ``incohe…
The relationships between the microstructural and physical properties of the whey protein isolate and gelatin (WPI/gelatin) composite films were investigated in the present work. Through the electrostatic effects at pH 8, WPI and gelatin molecules could form compact aggregates in solution, where a remarkable shrinkage…
We report results of muon-spin-rotation measurements performed on the ferromagnetic semiconductor EuO, which is one of the best approximations to a localized ferromagnet. We argue that implanted muons are sensitive to the internal field primarily through a combination of hyperfine and Lorentz fields. The temperature d…
Demonstrating the quantum-confined Stark effect (QCSE) in silicon nanocrystals (NCs) embedded in oxide has been rather elusive, unlike the other materials. Here, the recent experimental data from ion-implanted Si NCs is unambiguously explained within the context of QCSE using an atomistic pseudopotential theory. This…
Eleven density functionals are compared with regard to their performance for the lattice constants of solids. We consider standard functionals, such as the local-density approximation and the Perdew-Burke-Ernzerhof (PBE) generalized-gradient approximation (GGA), as well as variations of PBE GGA, such as PBEsol and sim…
Well-defined ultrathin nanoribbons have been fabricated from an amphiphilic electron donor-acceptor (D-A) supramolecule comprising perylene tetracarboxylic diimide as the backbone scaffold to enforce the one-dimensional intermolecular assembly via strong pi-stacking. These nanoribbons demonstrated high photoconductivi…