Materials Literature
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Levulinic acid (LA) can be cost-effectively produced from a vast array of renewable carbohydrate-containing biomaterials. LA could facilitate the commercialization of the polymer poly(hydroxybutyrate-co-hydroxyvalerate) (PHBV) and PHBV-based products as carbon substrates. Therefore, this paper focused on the productio…
An ugly duckling grows into a swan: Many organisms grow their crystalline mineral phases through the secondary nucleation of nanospheres made of an amorphous precursor phase. Stable amorphous calcium carbonate biominerals were used to induce a similar transformation in vitro. The amorphous nanospheres underwent a soli…
A structure of germanium selenide glasses is simulated by the featured clusters built from the tetrahedral GeSe4 units up to the clusters with six germanium atoms (Ge6Se16H4 and Ge6Se16H8). Quantum chemical calculations at the DFT level with effective core potentials for Ge and Se atoms for the clusters of different c…
We investigate the calculation of the magnetic form factors of nano-objects with complex geometrical shapes and non homogeneous magnetization distributions. We describe a numerical procedure which allows to calculate the 3D magnetic form factor of nano-objects from realistic magnetization distributions obtained by mic…
Monolayer films of highly catalytically active Pd@CeO2 core-shell nanocomposites were grafted onto a planar YSZ(100) (yttria-stabilized zirconia, YSZ) single crystal support that was functionalized with a CVD-deposited layer of triethoxy(octyl)silane (TEOOS). The resulting monolayer films were found to exhibit excepti…
We describe a novel fluctuating-surface current formulation of radiative heat transfer between bodies of arbitrary shape that exploits efficient and sophisticated techniques from the surface-integral-equation formulation of classical electromagnetic scattering. Unlike previous approaches to non-equilibrium fluctuation…
Dirac electrons in clean graphene can mediate the interactions between two localized magnetic moments. The functional form of the RKKY interaction in pristine graphene is specified by two main features: (i) an atomic scale oscillatory part determined by a wave vector $\vec Q$ connecting the two valleys. Furthermore wi…
An analytical and numerical approach is developed to pinpoint the optimal experimental conditions to irreversibly switch magnetization using surface acoustic waves (SAWs). The layers are magnetized perpendicular to the plane and two switching mechanisms are considered. In precessional switching, a small in-plane field…
Ti-doped BiFeO 3 ceramics prepared by a mixed-oxide route were structurally characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy (SEM), and high-resolution transmission electron microscopy (HRTEM), giving evidence of the formation of an inner structure at the nanometric scale. The obse…
Herein we report the surfactant-thermal method to prepare two novel one-dimensional mercury selenidostannates, [DBUH]2[Hg2Sn2Se6(Se2)] (1) and [DBUH]2[Hg2Sn2Se7] (2), where DBU = 1,8-diazabicyclo[5.4.0]undec-7-ene, by applying PEG-400 as the reaction medium. It is worth noting that 1 is kinetically stable and can be t…
We report a two-component acid-amine gelation system which forms instant organogels on simple mixing. We investigate self-assembly using a wide range of different amines and identify the optimum amines for gelation to occur. Using NMR and other spectroscopic methods, we unambiguously determine the stoichiometry of the…
The optical properties of graphene are made unique by the linear band structure and the vanishing density of states at the Dirac point. It has been proposed that even in the absence of a semiconducting bandgap, a relaxation bottleneck at the Dirac point may allow for population inversion and lasing at arbitrarily long…
Monodisperse, quasi-spherical silver nanocrystals (Ag NCs) have been produced directly in water via adding the aqueous solution of a mixture of AgNO3, sodium citrate, and KI into the boiling aqueous solutions of ascorbic acid (AA). The AA is used to significantly accelerate reduction of AgNO3 in order to promote a ver…
The reaction of the multisite coordination ligand (LH4) with CoX2·nH2O in the presence of tetrabutylammonium hydroxide affords a series of homometallic dinuclear mixed-valence complexes, [Co(III)Co(II)(LH2)2(X)(H2O)](H2O)m (1, X = Cl and m = 4; 2, X = Br and m = 4; 3, X = NO3 and m = 3). All of the complexes have been…
Using single-nanotube absorption microscopy, we measured the absorption cross section of (6,5) carbon nanotubes at their second-order optical transition. We obtained a value of 3.2 × 10(-17) cm(2)/C atom with a precision of 15% and an accuracy below 20%. This constitutes the first metrological investigation of the abs…
The magnetic proximity effect is a fundamental feature of heterostructures composed of layers of topological insulators and magnetic materials since it underlies many potential applications in devices with novel quantum functionality. Within density functional theory we study magnetic proximity effect at the 3D topolo…
We calculate the carbon nuclear magnetic resonance (NMR) shielding for CO_2 and the hydrogen shieldings for both H_2 and H_2O inside the metal organic framework MOF-74-Mg. Our ab initio calculations are at the density functional theory level using the van der Waals including density functional vdW-DF. The shieldings a…
MnWO${}_{4}$ is regarded as a canonical example of multiferroic materials, where the multiferroic activity is caused by a spin-spiral alignment. We argue that, in reality, MnWO${}_{4}$ has two sources of the spin spirality, which conflict with each other. One source is the Dzyaloshinskii-Moriya (DM) interactions, refl…
We investigated the effect of fluorine-terminated diamond surface on the charged state of shallow nitrogen vacancy defect centers (NVs). Fluorination is achieved with CF4 plasma and the surface chemistry is confirmed with x-ray photoemission spectroscopy. Photoluminescence of these ensemble NVs reveal that fluorine-tr…
Double perovskites such as Sr${}_{2}$FeMoO${}_{6}$ are materials with half-metallic ground states and ferrimagnetic ${T}_{c}$'s well above room temperature. This paper is the second of our comprehensive theory for half-metallic double perovskites. Here we derive an effective Hamiltonian for the Fe core spins by ``inte…