Materials Literature
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Abstract A polyoxovanadate–surfactant hybrid layered crystal was synthesized by using decyltrimethylammonium (C10) cation. The hybrid crystal with a formula of (C10)4[H2V10O28]·8H2O (C10–V10) contained diprotonated decavanadate anions, which were connected to each other to form hydrogen-bonded cluster chains. Conducti…
Density functional theory calculations for the ground-state properties of Co and Ni have been performed using conventional generalized gradient approximation (GGA) and screened hybrid functionals for an exchange–correlation functional. Here, we have calculated structural (equilibrium lattice constants, bulk moduli, an…
The nanocrystalline nickel ferrite ( NiFe 2 O 4 ) was synthesized by reactive milling starting from equimolar mixture of oxides. The iron contamination during milling leads to a solid state reaction between Fe and NiFe 2 O 4 spinel. This reaction starts for a milling time longer than 30 h. A mixed nickel–iron ferrite…
This study focused on the effect of Multi Wall Carbon Nanotubes (MWCNT) content and its surface treatment on thermo-mechanical properties of epoxy nanocomposites. MWCNTs were surface treated and incorporated into two epoxy systems. MWCNT's surface treatments were based on: (a) Titania coating obtained by sol-gel proce…
The phenomenon of band-gap engineering of ZnO inserts new platforms to its application base. A similar effort of engineering the optical band-gap of ZnO by ion beam irradiation has been put forwards via this study. We synthesised ZnO nanowires using polycarbonate track-etched membranes as templates. The effect of 50 M…
Single-site Ti-containing mesoporous silica with a nanotube architecture (Ti–MST) was successfully prepared by a solvent evaporation method through the combination of a precursor solution for the synthesis of Ti-containing mesoporous silica (Ti–MS) and carbon nanofibers (CNF) as a hard template. The nanotube architect…
Using density functional theory, the central role of the odd electron density for designing open-shell singlet compounds with enhanced second hyperpolarizabilities [third-order nonlinear optical (NLO) properties at the molecular level] is evidenced. Its amplitude, corresponding to the diradical character, gives the po…
SrFe0.75Mo0.25O3-δ has been recently discovered as an extremely efficient electrode for intermediate temperature solid oxide fuel cells (IT-SOFCs). We have performed structural and magnetic studies to fully characterize this multifunctional material. We have observed by powder neutron diffraction (PND) and transmissio…
We propose that the global minimum structure of the Au 10 2+ system has a highly symmetrical tetrahedral geometry and is clearly separated from the other isomers by a high relative energy gap. The large highest occupied molecular orbital-to-lowest unoccupied molecular orbital (HOMO–LUMO) gap as well as the superatom a…
In this paper, in-shoe blister formation during running is analyzed and possibilities to reduce these cutaneous lesions by appropriate sock properties are discussed. Six types of cotton-made athletic socks were studied in order to evaluate the influence of the knitted structure on the sock-to-skin friction (terry jers…
Density functional theory based calculations have been performed to investigate decomposition of HCOOH on a Pd(7) cluster in vacuum and solution. The adsorption of HCOOH on Pd(7) cluster occurs on a layer-by-layer quasi-planar conformation of Pd(7) with 4 atoms on top and 3 atoms below. Possible reaction pathways for…
5,15-Bis(4-sulfonatophenyl)porphyrin (DPPS) with a planar conjugated system and two negative charges was found to be able to engender the self-assembling of CTAB-GNRs due to the electrostatic interaction between DPPS and CTAB together with the π-π intermolecular interaction of DPPS, while its bulky supramolecular pseu…
In this theoretical research work, the fracture characteristics of graphene-modified polymer nanocomposites were studied. A three-dimensional representative volume element-based multiscale model was developed in a finite element environment. Graphene sheets were modeled in an atomistic state, whereas the polymer matri…
Low-temperature plasmas in direct contact with arbitrary, written linear features on a Si wafer enable catalyst-free integration of carbon nanotubes into a Si-based nanodevice platform and in situ resolution of individual nucleation events. The graded nanotube arrays show reliable, reproducible, and competitive perfor…
Poly(2-acrylamido-2-methyl-1-propansulfonic acid) (p(AMPS))-based microgel is prepared for metal nanoparticle preparation of Co and Ni and then used in hydrolysis of NaBH 4 . The Co(II) ions from different anion-containing sources is used for loading of p(AMPS) and used in Co nanoparticle preparation. It is found that…
Miniaturisierte Schatzkiste: Ein AuI-AgI-Ionen-Tripeldeckercluster wurde durch abwechselnde Anordnung cyclischer dreikerniger AuI-Komplexe und AgI-Ionen innerhalb eines selbstorganisierten Käfigs synthetisiert. Der kastenförmige Käfighohlraum eignet sich nicht nur zur Beschränkung der Clusterzahl, sondern auch zur Sta…
We have prepared two different subphthalocyanine conjugates by linking these macrocycles either to an electron-accepting perylene diimide or to an electron-donating phenothiazine through a single B-N covalent bond. The short spacing between the two active building blocks results in ultrafast photoinduced electron-tran…
Assemblies of chiral phospholipids that form spontaneously at interfaces between aqueous phases and bent-core liquid crystals can deracemize mixtures of chiral domains that otherwise form in the liquid crystal phase. An enantiomeric excess of chiral domains is induced by adsorption of either L- or D-phospholipid with…
A novel multifunctional hybrid nanocarrier consisting of a red fluorescence quantum dot core and a star-shaped cationic β-cyclodextrin polymer shell is demonstrated. Chemotherapeutic drug paclitaxel is supramolecularly preloaded into the nanocarrier, which co-delivers the drug and DNA with an enhanced gene expression,…
Surface-initiated atom transfer radical polymerization (SI-ATRP) is successfully applied to electrospun constructs of poly(L-lactide). ATRP macroinitiators are adsorbed through polyelectrolyte complexation following the introduction of negative charges on the polyester surface through its blending with a six-armed car…