Materials Literature
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By the incorporation of C atoms into (BN)(12) fullerene, our theoretical investigation shows that carbon doped boron nitride cages (BNC) can achieve a high hydrogen storage amount of 7.43 wt%, and dehydrogenation of the corresponding BNC hydrides (BNC(H)) is thermodynamically favored for practical applications of hydr…
${\text{FeVO}}_{4}$ has been studied by heat capacity, magnetic susceptibility, electric polarization and single-crystal neutron-diffraction experiments. The triclinic crystal structure is made of $S$-shaped clusters of six ${\text{Fe}}^{3+}$ ions, linked by ${\text{VO}}_{4}^{3\ensuremath{-}}$ groups. Two long-range m…
We present a solution-phase preparation method for the synthesis of ZnO in an open reactor (with constant stirring) or in a closed reactor (autoclave). The method is based on a combination of the polyol method and the homogeneous precipitation of zinc nitrate with urea. ZnO particles with a rod-like shape and with a r…
The wettability of cross-linked poly(dimethylsiloxane) elastomer films and of octadecyltrichlorosilane self-assembled monolayers with water has been measured and compared using various methods. Contact angle hysteresis values were compared with values reported in the literature. A new method to characterize advancing,…
Two homologous series of Schiff base Chalcones, Series-A: 1-{4-[(2,4-dihydroxy benzylidene) amino] phenyl}-3-(4-alkoxy phenyl) prop-2-en-1-one and series-B: 1-(4-{[1-(2,4-dihydroxyphenyl)ethylidene]amino}phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one were synthesized and the physical characterization was carried out along…
Recent studies reveal that suspensions of neutrally buoyant non-brownian particles driven by slow periodic shear can undergo a dynamical phase transition between a fluctuating irreversible steady state and an absorbing reversible state. Using a computer model, we show that such systems exhibit self-organized criticali…
Infrared reflectance, terahertz transmittance, and microwave resonance measurements show that SrTiO3 films, strained by ∼1% in biaxial tension by growing them on (110) DyScO3 substrates, undergo a pronounced phonon softening near 270 K. This in-plane soft-mode drives the ferroelectric transition. The appearance of two…
We report the first experimental evidence of size effects in the glass transition of thin films of an organic molecule grown from the vapor phase. In as-deposited films grown at 90 K (0.80 T g ), both the fictive temperature, T f, and the onset of the glass transition, T on, decrease with thickness. The thinnest layer…
Abstract In gradient elasticity, the appearance of strain gradients in the free energy density leads to the need of C 1 continuous discretization methods. In the present work, the performances of C 1 finite elements and the C 1 Natural Element Method (NEM) are compared. The triangular Argyris and Hsieh–Clough–Tocher f…
We describe a methodology to synthesize trivalent-erbium (Er 3+ )-doped yttrium oxide (Y 2 O 3 ) nanoparticles. An in-depth morphology analysis indicates that the average diameter of the individual nanoparticles is about 25 nm. To optically characterize the nanocrystalline material, the room-temperature absorption spe…
Oxygen vacancies (OVs) have a significant influence on the carrier mobility and optical conductivity in transition metal oxides. In this letter, using density-functional theory, we investigate the effect of OVs on the optical response in multiferroic BiFeO3. Within the generalized gradient approximation plus the on-si…
A near-perfect, non-singular cylindrical invisibility cloak with diamond cross section is achieved by a two-step coordinate transformation. A small line segment is stretched and then blown up into a diamond space, and finally the cloak consisting of four kinds and eight blocks of homogeneous transformation media is ob…
We have systematically studied the self-organization of poly(3-hexylthiophene) (P3HT), an electrochromic material, upon control of the solvent evaporation rate. We characterized these polymer films using atomic force microscopy and X-ray diffraction measurements. Well-ordered P3HT structures were developed after solve…
We report the first in-depth comparison of the mechanical properties and equilibrium solvent uptake of a range of polysiloxane nanocomposites based on treated and untreated montmorillonite and fumed silica nanofillers. We demonstrate the ability of equilibrium solvent uptake data (and, thus, overall physical and chemi…
Differential pair distribution function (d-PDF) analysis of high energy powder X-ray diffraction data was carried out on 2-line ferrihydrite nanoparticles with arsenate oxyanions adsorbed on the surface to investigate the binding mechanism. In this analysis, a PDF of ferrihydrite is subtracted from a PDF of ferrihydri…
The dielectric and ferroelectric properties of (1-z) (Sr0.7Bi0.2)TiO3–z(Na0.5Bi0.5)TiO3 solid solutions with z=0.65–1 are studied. High remnant polarization of ∼51 μC/cm2 with a coercive field of 50 kV/cm, and a dielectric constant of ∼1000 have been obtained at room temperature in the sample with z=0.9, indicating an…
In the biomass combustion process, fuel N in biomass can be oxidized into NO x, causing acid rain and photochemical smog. Some measures should be taken to control NO x emissions from biomass combustion. In this paper, NO reduction over rice husk char in the combustion process was studied in a fixed-bed reactor to opti…
Multi-color gold-nanoparticle-based tags (nanotags) are synthesized for combined surface-enhanced Raman spectroscopy (SERS) and x-ray computed tomography (CT). The nanotags are synthesized with quasi-spherical gold nanoparticles encoded with a reporter dye (color), each with a unique Raman spectrum. A library of nanot…
The interaction of atomic H with host atoms and oxygen vacancies $({V}_{\text{O}})$ in the rutile phase of the ${\text{TiO}}_{2}$ metal oxide has been investigated by using density-functional theory-local spin density (DFT-LSD) and $\text{DFT-LSD}+U$ theoretical methods. The achieved results show that H in rutile pres…
Covalent surface modification of multiwall carbon nanotubes leads to enhanced nanotube dispersion in the polymer. Despite this, the mechanical properties of electrospun fibers made of polymethylmethacrylate containing surface modified nanotubes generally fall below those of fibers with pristine nanotubes, sometimes be…