Materials Literature
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Gold prospecting: Trapped-ion electron diffraction, photoelectron spectroscopy, and density functional theory are used to establish the structure of the free gold cluster ion Au34−. The results suggest a chiral cluster with an internal trigonal pyramid and C3 point symmetry.
This chapter contains sections titled: Introduction and Scope of Review Porphyrin Electrochemistry in the 1960s and Early 1970s Porphyrin Structure and Half-Wave Potentials Metalloporphyrins with Iron Metals Metalloporphyrins with Early Transition Metals Metalloporphyrins with Platinum Metals Metalloporphyrins with Me…
Carbonate and chloride ions mediate an ordered stacking of metal hydroxide slabs to yield ordered layered double hydroxides (LDHs) of Zn with Al, by virtue of their ability to occupy crystallographically well-defined interlayer sites. Other anions such as ClO(4)- (T(d)), BrO(3)- (C(3v)), and NO(3)- (coordination symme…
We report on actuation in high tensile strength yarns of twist-spun multi-wall carbon nanotubes. Actuation in response to voltage ramps and potentiostatic pulses is studied to quantify the dependence of the actuation strain on the applied voltage. Strains of up to 0.5% are obtained in response to applied potentials of…
Using first-principles methods we calculate the absolute deformation potentials ${a}_{v}$ and ${a}_{c}$ of wurtzite ZnO, MgO, CdO, and the band offsets at $\mathrm{Mg}\mathrm{O}∕\mathrm{Zn}\mathrm{O}$ and $\mathrm{Zn}\mathrm{O}∕\mathrm{Cd}\mathrm{O}$ interfaces. We find that the absolute deformation potentials of thes…
High Resolution Image Download MS PowerPoint Slide A set of nearly monodisperse Au−Ag alloy clusters (size range 1.6−2.2 nm) with various Ag content (5−30%) was prepared by the co-reduction method in the presence of poly( N -vinyl-2-pyrrolidone) (PVP). The catalytic activities of the Au−Ag:PVP clusters were investigat…
The modes of vibrations in honeycomb and auxetic structures are studied, with models in which the lattice is represented by a planar network where sites are connected by strings and rigid rods. The auxetic network is obtained modifying a model proposed by Evans et al. in 1991, and used to explain the negative Poisson'…
We study the rheology and distribution of interparticle contact lifetimes for gravity-driven, dense granular flows of non-cohesive particles down an inclined plane using large-scale, three dimensional, granular dynamics simulations. Rather than observing a large number of long-lived contacts as might be expected for d…
Solving the Kohn-Sham eigenvalue problem constitutes the most computationally expensive part in self-consistent density functional theory (DFT) calculations. In a previous paper, we have proposed a nonlinear Chebyshev-filtered subspace iteration method, which avoids computing explicit eigenvectors except at the first…
The structural and electronic properties of (ZnO) n ( n = 2−18) clusters are studied using gradient-corrected density-functional theory (DFT). The starting structures are generated from empirical genetic algorithm simulations or handmade constructions with chemical intuition. The lowest-energy structures of (ZnO) n ar…
We report topography-free materials contrast imaging on a nano-fabricated Boron-doped Silicon sample measured with a Near-field Scanning Microwave Microscope over a broad frequency range. The Boron doping was performed using the Focus Ion Beam technique on a Silicon wafer with nominal resistivity of 61 Ohm.cm. A topog…
Recent success in making macroscopic graphene samples has stimulated interest in possible unusual electron physics near the Brillouin zone (BZ) vertex $K$, notably the prediction of a spin quantum Hall effect. Observability depends critically on the size of the spin-orbit gap ${\ensuremath{\Delta}}_{\mathit{SO}}$ at $…
Abstract Intrinsic emission of complex oxides with garnet structure was studied by means of the analyses of the time‐resolved luminescence spectra and decay kinetic for single crystals (SC) and single‐crystalline films (SCF) of Y 3 Al 5 O 12 (YAG) and Lu 3 Al 5 O 12 (LuAG) garnets under excitation by the pulse X‐ray a…
In the present work, a novel method for synthesizing a one-dimensional CuO nanoneedle array was introduced; that is, first, a pure copper nanocrystalline layer was plated by using a periodic reverse pulse plating process, and then the CuO nanoneedle array grew upon the layer through thermal oxidation in the air. The n…
A quadratic invariant is defined as a quadratic form in the elements of a tensor that remains invariant under a group of coordinate transformations. It is proved that there are 7 quadratic invariants of the 21-element elastic modulus tensor under SO(3) and 35 under SO(2). This answers some open questions raised by Tin…
We have used single crystal X-ray diffraction methods to establish the crystal structures of a compound in the Pd-Mn-Si system and in the Pd-Mn-Ge system. The title compounds have structures related to the Fe$_2$P structure type and are ferromagnetic with Curie temperatures above the room temperature. Density function…
Based on measurements of soft x-ray magnetic scattering and symmetry considerations, we demonstrate that the magnetoelectric effect in TbMn$_2$O$_5$ arises from an internal field determined by $\vec{S}_{\vec{q}} \times {\vec{S}_{-\vec{q}}}$ with $\vec{S}_{\vec{q}}$ being the magnetization at modulation vector $\vec{q}…
We propose that in the presence of an Ohmic, de-phasing type environment, a two-level-cavity system undergoes a quantum phase transition from a state with damped Rabi oscillation to a state without. We present the phase diagram and make predictions for pump and probe experiment. Such a strong coupling effect of the en…
The combination of self-assembly and electronic properties as well as its true nanoscale dimensions make DNA a promising candidate for a building block of single molecule electronics. We argue that the intrinsic double helix conformation of the DNA strands provides a possibility to drive the electric current through t…
A newly discovered group of alloys, called Gum Metals, approaches ideal strength in bulk form, exhibits significant plastic deformation prior to failure, and shows no indications of conventional-dislocation activity. Two conditions must be met for a material to exhibit this "ideal" behavior: (1) the stress required to…