Materials Literature
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We predict that iron-based superconductors discovered near d(6) configuration (5 Fe 3d orbitals filled by 6 electrons) is located on the foot of an unexpectedly large dome of correlated electron matter centered at the Mott insulator at d(5) (namely, half filling). This is based on the many-variable variational Monte C…
Graphene has attracted intense research interest due to its exotic properties and potential applications. Chemical vapor deposition (CVD) on Cu foils has shown great promises for macroscopic growth of high-quality graphene. By delicate design and control of the CVD conditions, here we demonstrate that a nonequilibrium…
We report a preparation method for the synthesis of monodisperse magnetic polymer/silica hybrid microspheres using polymer microspheres incorporated with magnetic nanoparticles as a novel template. Monodisperse, hierarchically mesoporous, silica microspheres embedded with magnetic nanoparticles were successfully fabri…
The synthesis of regioregular head-to-tail poly(3-hexylthiophene)s capped with aryl groups (Ar-HT-P3HTs) has been accomplished by palladium-catalyzed polycondensation of 2-bromo-3-hexylthiophene (1) via direct arylation. A variety of aryl groups are installed at the initiated end in 86%-98% selectivity using aryl brom…
In this paper we have demonstrated the simple, low cost, low temperature, hydrothermal growth of weeping willow ZnO nano-trees with very long branches to realize high efficiency dye-sensitized solar cells (DSSCs). We also discuss the effects of branching on solar cell efficiency. By introducing branched growth on the…
Abstract Graphite oxide (GO) is shown to be an efficient heterogeneous catalyst for the polymerization of various olefin monomers, including n‐butyl vinyl ether, N ‐vinylcarbazole, styrene, and sodium 4‐styrenesulfonate. The GO‐catalyzed polymerization of n‐butyl vinyl ether (0.1–5.0 wt% GO relative to monomer) procee…
A series of water-soluble red-emitting distyryl-borondipyrromethene (BODIPY) dyes were designed and synthesized by using three complementary approaches aimed at introducing water-solubilizing groups on opposite faces of the fluorescent core to reduce or completely suppress self-aggregation. An additional carboxylic ac…
We present a detailed theoretical investigation on the magnetic properties of small single-layered Fe, Co and Ni clusters deposited on Ir(111), Pt(111) and Au(111). For this a fully relativistic {\em ab-initio} scheme based on density functional theory has been used. We analyse the element, size and geometry specific…
Abstract We propose an original scheme for the time discretization of a triphasic Cahn–Hilliard/Navier–Stokes model. This scheme allows an uncoupled resolution of the discrete Cahn–Hilliard and Navier‐Stokes system, which is unconditionally stable and preserves, at the discrete level, the main properties of the contin…
Here, a facile approach for the fabrication of CuS nanoparticle (NP)/ZnO nanowire (NW) heterostructures on a mesh substrate through a simple two-step solution method is demonstrated. Successive ionic layer adsorption and reaction (SILAR) was employed to uniformly deposit CuS NPs on the hydrothermally grown ZnO NW arra…
We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In(2)O(3), ZnO, CdO and SnO(2) along with the p-type conducting ternary oxides delafossite CuXO(2) (X=Al, Ga, In) and spinel ZnX(2)…
Materials with the half-Heusler structure possess interesting electrical and magnetic properties, including potential for thermoelectric applications. MgAgSb is compositionally and structurally related to many half-Heusler materials but has not been extensively studied. This work presents the high-temperature x-ray di…
The paper reviews several topics associated with the homogenization of transport processed in historical masonry structures. Since these often experience an irregular or random pattern, we open the subject by summarizing essential steps in the formulation of a suitable computational model in the form of Statistically…
We report results of high-resolution TOF SIMS (time of flight secondary ion mass spectrometry) depth profiling experiments on a nanolayered structure, a stack of 16 alternating MgO and ZnO ~5.5 nm layers grown on a Si substrate by atomic layer deposition. The measurements were performed using a newly developed approac…
The three primary ferroics, namely ferromagnets, ferroelectrics, and ferroelastics, exhibit corresponding large (or even giant) magnetocaloric, electrocaloric, and elastocaloric effects when a phase transition is induced by the application of an appropriate external field. Recently the suite of primary ferroics has be…
Small ruby crystals were grown by the Czochralski technique in different atmospheres and their actual chromium content was analysed by a wet chemical method. The chromium distribution coefficient k was found to be strongly dependent on oxygen partial pressure p(O2). It ranges from k=0.3 in a reducing atmosphere to k=1…
We determine the nature of coupled phonons and magnetic excitations in AlFeO${}_{3}$ using inelastic light scattering from 5 to 315 K covering a spectral range from 100 to 2200 cm${}^{\ensuremath{-}1}$ and complementary first-principles density functional theory--based calculations. A strong spin--phonon coupling and…
The density-functional theory (DFT) and density-functional perturbation theory (DFPT) are employed to study the pressure dependence of elastic and dynamical properties of zinc-blende ZnS and ZnSe. The calculated elastic constants and phonon spectra from 0 GPa to 15 GPa are compared with the available experimental data…
Short-range ordering (SRO) in Fe-Cr has been the subject of a number of recent experimental and theoretical investigations, as ordering effects are significant for the phase stability of this technologically important alloy. Recently, discrepancies regarding the SRO behavior of Fe-Cr have been reported between results…
Crystallization is used at some stage in nearly all process industries as a method of production, purification or recovery of solid materials. In recent years, a number of new applications have also come to rely on crystallization processes such as the crystallization of nano and amorphous materials. The articles for…