Materials Literature
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Azulenocyanine, having four azulene units fused to a tetraazaporphyrin skeleton, is a structural isomer of naphthalocyanine. We synthesized the first example of an azulenocyanine from 1,3-di-tert-butyl-5,6-dicyanoazulene. The macrocycle exhibits broad absorption over the visible and near-IR regions far beyond 1000 nm.…
An extension of the synchronous parallel kinetic Monte Carlo (pkMC) algorithm developed by Martinez {\it et al} [{\it J.\ Comp.\ Phys.} {\bf 227} (2008) 3804] to discrete lattices is presented. The method solves the master equation synchronously by recourse to null events that keep all processors time clocks current i…
The reflectivity of a large ${\text{LuFe}}_{2}{\text{O}}_{4}$ single crystal has been measured with the radiation field either perpendicular or parallel to the $c$ axis of its rhombohedral structure, from 10 to 500 K, and from 7 to $16\text{ }000\text{ }{\text{cm}}^{\ensuremath{-}1}$. The transition between the two-di…
The formation of one-dimensional carbon chains from graphene nanoribbons is investigated using ab initio molecular dynamics. We show under what conditions it is possible to obtain a linear atomic chain via pulling of the graphene nanoribbons. The presence of dimers composed of two-coordinated carbon atoms at the edge…
Gold nanoparticles (Au NPs) are a potential x-ray computed tomography (CT) contrast agent. A biocompatible and bioinactive surface is necessary for application of gold nanoparticle to CT imaging. Polyethylene glycol (PEG)-attached dendrimers have been used as a drug carrier with long blood circulation. In this study,…
Overview of Shape-Memory Polymers, M. Behl and A. Lendlein The Structural Variety of Shape-Memory Polymers, H.-Y. Jiang and A.M. Schmidt Thermomechanical Behavior and Modeling Approaches, H.J. Qi and M.L. Dunn Thermomechanical Characterizations of Shape-Memory Polymers (Dual/Triple-Shape) and Modeling Approaches, K. K…
Over the past decade, electrical detection of chemical and biological species using novel nanostructure-based devices has attracted significant attention for chemical, genomics, biomedical diagnostics, and drug discovery applications. The use of nanostructured devices in chemical/biological sensors in place of convent…
We study the origin of the temperature-induced Mott transition in Ca2RuO4. As a method we use the local-density approximation+dynamical mean-field theory. We show the following. (i) The Mott transition is driven by the change in structure from long to short c-axis layered perovskite (L-Pbca to S-Pbca); it occurs toget…
The effect of uniaxial strain on electronic structure and magnetism in ${\text{LaMnO}}_{3}$ is studied from a model Hamiltonian that illustrates the competition between the Jahn-Teller, superexchange, and double-exchange interactions. We retain in our model the three main octahedral distortions (${Q}_{1}$, ${Q}_{2}$,…
We study the origin of the large Seebeck coefficient despite the metallic conductivity in the La-doped ${\text{SrTiO}}_{3}$ and Ba-doped ${\text{KTaO}}_{3}$. We calculate the band structure of ${\text{SrTiO}}_{3}$ and ${\text{KTaO}}_{3}$, from which the Seebeck coefficient is obtained using the Boltzmann's equation. W…
We show that semiconductor avalanche photodiodes can exhibit diminutive amplification noise during the early evolution of avalanches. The noise is so low that the number of locally excited charges that seed each avalanche can be resolved. These findings constitute an important first step towards realization of a solid…
We demonstrate a close relationship between superconductivity and the dimensions of the Fe-Se(Te) tetrahedron in FeSe0.5Te0.5. This is done by exploiting thin film epitaxy, which provides controlled biaxial stress, both compressive and tensile, to distort the tetrahedron. The Se/Te height within the tetrahedron is fou…
The magnetoresistance of InSb has been intensively investigated. The experiments we perform here focus on weak field magnetoresistance of InSb thin film. We investigate the magnetoresistance of InSb films in perpendicular, tilted as well as parallel magnetic field. Our results verify the previous observations concerni…
Rabenschwarzes Leichtgewicht: Dreidimensionale Makrostrukturen (siehe Bild) entstehen aus Graphenoxid-Schichten und Edelmetallnanokristallen (Au, Ag, Pd, Ir, Rh, Pt usw.). Ungeachtet seiner überaus geringen Dichte (ca. 0.03 g cm−3) verfügen Zylinder wie der abgebildete über hervorragende mechanische Eigenschaften. Als…
The corrosion behavior of four different microstructures of Ti-6Al-4V with varying volume fractions of primary α (0, 10%~20%, 40%~50%, and ~90%) was investigated in sodium chloride (NaCl) and hydrochloric acid (HCl) solutions. The microstructure constituent morphologies and distributions were characterized with optica…
We present a first-principles study of bare and hydrogen passivated armchair nanoribbons of the puckered single layer honeycomb structures of silicon and germanium. Our study includes optimization of atomic structure, stability analysis based on the calculation of phonon dispersions, electronic structure, and the vari…
A density functional theory (DFT) study on stoichiometric bismuth titanate pyrochlore (Bi 2 Ti 2 O 7 −BTO) is presented. Pseudopotential plane wave calculations were carried out to determine band gaps, density of states (DOS), and partial density of states (PDOS) of BTO. The theoretically determined optical property o…
The hexagonal faceted ZnO quantum dots (QDs) about 3-4 nm have been prepared via a sol-gel route by using oleic acid (OA) as the capping agent. It is revealed by electron diffraction patterns and high resolution transmission electron microscopy lattice images that the profile surfaces of the highly crystalline ZnO QDs…
The current-voltage characteristics of armchair graphene nanoribbons under a local uniaxial tension are investigated by using first-principles quantum transport calculations. It is shown that for a given value of bias voltage, the resulting current depends strongly on the applied tension. The observed trends are expla…
An OFF-ON red-emitting phosphorescent thiol probe is designed by using the (3)MLCT photophysics of Ru(II) complexes, i.e., with Ru(II) as the electron donor. The probe is non-luminescent because the MLCT is corrupted by electron transfer from Ru(II) to an intramolecular electron sink (2,4-dinitrobenzenesulfonyl). Thio…