Materials Literature
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Na(0.40(2))MnO(2) belongs to a family of mixed Mn(3+) and Mn(4+) porous oxides that contains both octahedral and square pyramidal Mn-O units. Neutron and synchrotron radiation studies identify the presence of both sodium ordering (T(Na) ≈ 310 K) and Mn charge and orbital ordering. Below T(Na), the centrosymmetric Pbam…
Spark plasma joining is used to join ZrB 2 –SiC composites with seamless microstructures at the joint that results in retention of high‐temperature mechanical and oxidation properties after joining. Our approach uses a spark plasma sintering furnace and Zr–B powder filler layers to join the parts together. The joining…
In this study, the effect of layered nanoparticles on physical, mechanical, fire, and dynamic mechanical properties of polypropylene (PP)/hemp fiber was investigated. Composites based on PP, hemp fiber, nanoclay, and maleic anhydride-grafted PPs were made by melt compounding and then injection molding. Results reveale…
The intumescent flame retardant polylactide/polyhedral oligomeric silsesquioxane (IFR-PLA/POSS) composites were prepared via a melt blending method. The morphology of the PLA nanocomposites was assessed by transmission electron microscopy (TEM). Dynamic mechanical analysis (DMA) and tensile tests showed that the incor…
We describe a numerical scheme for exactly simulating the heat current behavior in a quantum harmonic chain with self-consistent reservoirs. Numerically exact results are compared to classical simulations and to the quantum behavior under the linear-response approximation. In the classical limit or for small temperatu…
Pronounced and stable pseudocapacitance has been found in flowerlike FeTiO 3 nanostructures that were synthesized from ball-milled ilmenite (natural mineral) under mild hydrothermal conditions. Each nanoflower is composed of many thin petals with a thickness of 5–20 nm and a width of 100–200 nm. The formation of these…
We compared the results of first-principles calculations with measured absorption spectra in thin films of delafossite-type Cu$M$O${}_{2}$ ($M$ $=$ Sc, Cr, Mn, Fe, and Co) taken at 10 K. Two optical transitions were found: one is associated with Cu3d $+$ O2$P$ \ensuremath{\rightarrow} Cu3${d}_{{\mathrm{z}}^{2}}$ $+$ 4…
Summary Pure zein films are known to be very hydrophobic, but are inappropriate for edible coating applications because of their brittle nature. In an attempt to improve the flexibility of these coatings, the influence of low concentrations of oleic acid (OA) as a plasticiser on mechanical, topographical and wetting p…
Alumina was synthesized via sol-gel technique by the hydrolysis of aluminium ion controlled by urea in aqueous media. The resulting sol composed of Al(OH) 3 particles coalesced and became a transparent gel. The freshly prepared gel was heated at 280C to obtain alumina particles. The obtained particles were found to be…
The carbaporphyrinoids 5,10,15,20-tetraphenyl-1,4-naphthiporphyrin and 5,20-diphenyl-10,15-ditolyl-24-thia-1,4-naphthiporphyrin, which contain a naphthalene ring embedded in the macrocyclic framework, were obtained in a modification of the “3 + 1” approach using the naphthalene analogue of tripyrrane. The 1,4-naphthip…
Using first-principles density functional calculations, we study the electronic structure of double perovskite compound, La${}_{2}$CoMnO${}_{6}$, which is reported to be ferromagnetic insulator with a Curie temperature of about 240 K. Our calculations show that the insulating state in this compound is driven by Coulom…
It is shown that the surface of an epitaxial graphene monolayer grown on Ru(0001) could be used as a quite efficient external mirror for He-atom microscopy, with a specular reflectivity of $20%$ of the incident beam. Furthermore, the system is stable up to 1150 K, and the He reflectivity remains almost unchanged after…
A magnetoelectric (ME) phenomenon in a multiferroic composite consisting of magnetization-graded ferromagnetic and ferroelectric phases is discussed. The traditional strain mediated coupling in such composites arises due to magnetostriction and piezoelectric effects associated with the ferroic phases. Such an ME effec…
The nonmagnetic impurity effect is studied on the Fe-based BaFe${}_{1.89\ensuremath{-}2x}$Co${}_{0.11}$As${}_{2}$ superconductor (${T}_{c}$ $=$ 25 K) with Zn substitution for Fe up to 8 at. %, which is achieved by means of high-pressure and high-temperature heating. ${T}_{c}$ decreases almost linearly with increasing…
Abstract SiO 2 and TiO 2 thin films with gold nanoparticles (NPs) are of particular interest as photovoltaic materials. A novel method for the preparation of spin‐coated SiO 2 –Au and TiO 2 –Au nanocomposites is presented. This fast and inexpensive method, which includes three separate stages, is based on the in situ…
Detailed structural, magnetic, and luminescence studies of six different crystalline phases obtained in the lanthanide/pyrimidine-4,6-dicarboxylate/oxalate system have been afforded: {[Ln(μ-pmdc)(μ-ox)(0.5)(H(2)O)(2)]·3H(2)O}(n) (1-Ln), {[Ln(μ-pmdc)(μ-ox)(0.5)(H(2)O)(3)]·2H(2)O}(n) (2-Ln), {[Ln(μ(3)-pmdc)(μ-ox)(0.5)(H…
Motivated by the state of the art method for fabricating high-density periodic nanoscale defects in graphene, the structural, mechanical, and electronic properties of defect-patterned graphene nanomeshes including diverse morphologies of adatoms and holes are investigated by means of first-principles calculations with…
The evaluation of the toxicity of magnetic nanoparticles (MNPs) has attracted much attention in recent years. The current study aimed to investigate the cytotoxic effects of Fe3O4, oleic acid-coated Fe3O4 (OA-Fe3O4), and carbon-coated Fe (C-Fe) nanoparticles on human hepatoma BEL-7402 cells and the mechanisms. WST-1 a…
The elastic properties and phonon density of states of UO${}_{2}$ have been studied by first-principles spin-polarized electronic-structure calculations in both the local density approximation (LDA) and the generalized-gradient approximation (GGA) for the experimentally determined antiferromagnetic spin configuration.…
We investigate vibrational properties and lattice distortion of negatively charged nitrogen-vacancy (NV${}^{\ensuremath{-}}$) center in diamond. Using the first-principles electronic structure calculations, we show that the presence of NV${}^{\ensuremath{-}}$ center leads to appearance of a large number of quasilocali…