Materials Literature
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Reactions of cerium oxide cluster anions with carbon monoxide are investigated by time-of-flight mass spectrometry and density functional theory computations aided with molecular dynamics simulations. Interesting size-dependent reactivity of the Ce n O 2 n +1 – cluster series with n = 1–21 is observed: (1) the small n…
We have observed a previously undescribed stepwise oxidation of mono- and few layer suspended graphene by silver nanoparticles in situ at subnanometer scale in an environmental transmission electron microscope. Over the range of 600-850 K, we observe crystallographically oriented channelling with rates in the range 0.…
Mg${}_{2}$Si${}_{1\ensuremath{-}x}$Sb${}_{x}$ compositions with $x$ ranging from 0 to 0.1 were prepared by induction melting and compacted by hot uniaxial pressing. The lattice parameter and the positional occupancy at the Mg site as a function of Sb substitution were calculated from Rietveld refinement. A monotonic i…
The reactions of N-fused tetraphenylporphyrin (NFTPP, 1a) and its 21-substituted derivatives, 21-Br-NFTPP (1b), 21-NO(2)-NFTPP (1c), and 21-Bz-NFTPP (1d), with Mn(CO)(5)Br gave the manganese(I) tricarbonyl complexes bearing N-fused tetraphenylporphyrinato ligands (2a-d), respectively, in 46-99% yields. The complexes w…
A zone plate lens utilizing a refractive instead of diffractive approach is presented for broadband operation. By utilizing transformation optics, we compress the conventional hyperbolic lens into a flat one with a few zone plates made of all-dielectric materials. Such a transformed lens maintains the broadband perfor…
An integral equation based scheme is presented for the fast and accurate computation of effective conductivities of two-component checkerboard-like composites with complicated unit cells at very high contrast ratios. The scheme extends recent work on multi-component checkerboards at medium contrast ratios. General imp…
Catalysis is so exhausting: A CeTi mixed oxide catalyst prepared by a homogeneous precipitation method presented excellent NH3-SCR activity with nearly 100 % NOx conversion in a temperature range of 200–350 °C (the main temperature range of diesel engine exhaust) at a space velocity of 50 000 h−1 and displayed promin…
This work presents a multiple scattering formulation of two dimensional acoustic metamaterials. It is shown that in the low frequency limit multiple scattering allows us to define frequency-dependent effective acoustic parameters for arrays of both ordered and disordered cylinders. This formulation can lead to both po…
We have obtained the first-principles electronic structure of solid coronene, which has been recently discovered to exhibit superconductivity with potassium doping. Since coronene, along with picene, the first aromatic superconductor, now provide a class of superconductors as solids of aromatic compounds, here we comp…
In this study, nanofibrous matrices of polycaprolactone (PCL) and PCL/collagen with immobilized epidermal growth factor (EGF) were successfully fabricated by electrospinning for the purpose of damaged skin regeneration. Nanofiber diameters were found to be 284 ± 48 nm for PCL and 330 ± 104 nm for PCL/collagen matrices…
Nanoparticles have been proposed for several biomedical applications; however, in vivo biodistribution studies to confirm their potential are scarce. Nanodiamonds are carbon nanoparticles that have been recently proposed as a promising biomaterial. In this study, we labeled nanodiamonds with (18)F to study their in vi…
Three boronate ester-linked covalent organic frameworks (COFs) were synthesized using a new approach that employs polyfunctional boronic acid and acetonide-protected catechol reactants in the presence of the Lewis acid catalyst BF3·OEt2. This transformation avoids the use of unstable and insoluble polyfunctional catec…
Carcinogenicity of carbon nanotubes is a major concern but has not been well addressed due to the lack of experimental models. Here, we show that chronic exposure to single-walled carbon nanotubes causes malignant transformation of human lung epithelial cells. The transformed cells induce tumorigenesis in mice and exh…
The cubic, stoichiometric oxide compounds Bi2Ti2O6O' (also written Bi2Ti2O7) and Bi2Ru2O6O' (also written Bi2Ru2O7) have in common lone-pair active Bi3+ cations on the pyrochlore A-site with a propensity to off-center. Unlike Bi2Ti2O6O', Bi2Ru2O6O' is a metal, so it is of interest to ask whether conduction electrons a…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition gradient energy to capture solute trapping and is therefore suited for studying ph…
In this paper we present the parameterization of a new interionic potential for stoichiometric, reduced and doped CeO(2). We use a dipole polarizable potential (DIPPIM: the dipole polarizable ion model) and optimize its parameters by fitting them to a series of density functional theory calculations. The resulting pot…
Phonon densities of states (DOS) for the high performing thermoelectric material, AgPbmSbTe2+m (LAST-m, m = 16, 18, and 20), were extracted from time-of-flight inelastic neutron scattering measurements. The phonon DOS of LAST-18 differs remarkably from LAST-16 and LAST-20 by exhibiting a dramatic broadening of its aco…
We use a "monodromy" argument to derive new expressions for the ${\bm Z}_2$ invariants of topological insulators with time-reversal symmetry in 2 and 3 dimensions. The derivations and the final expressions do not require any gauge choice and the calculation of the invariants is based entirely on the projectors onto th…
Novel solar cell materials consisting of Si nanoparticles embedded in SiO2 layers have been studied using positron annihilation spectroscopy in Doppler broadening mode, and photoluminescence. Two positron-trapping interface states are observed after high temperature annealing at 1100°C. One of the states is attributed…
Binary alloy phases of the noble metals with main group elements are analyzed in relation to body centered cubic structure with orthorhombic and hexagonal distortions. Stability of these distorted phases is considered on the base of the Fermi sphere - Brillouin zone interaction to understand the important part of the…