Materials Literature
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One-dimensional conductor: Strong π interactions between ecliptically stacked tellurium squares in Te4[Bi0.74Cl4] trigger excellent one-dimensional metallic conductivity as well as superconductivity below 7.15 K under ambient pressure. The electron-precise counterpart, Te4[Bi0.67Cl4], is a semiconductor. The bismuth c…
Summary The antibacterial effect of polyamide 6/66‐chitosan blend and chitosan‐coated plastic films was compared to chitosan films and chitosan solution, against Salmonella typhimurium and Staphylococcus aureus . The chitosan films did not show inhibition halos; however, contact inhibition was observed. During the tes…
Abstract Poly(ε‐caprolactone) (PCL)/trisilanolphenyl polyhedral oligomeric silsesquioxane (TspPOSS) nanocomposites were prepared by solution mixing followed by film casting. Wide‐angle X‐ray diffraction and field‐emission scanning electron microscopy observations showed that the POSS molecules formed crystal domains a…
An isostructural series of anion radical salts, β'-(EtxMe4−xZ)[Pd(dmit)2]2 (x = 0–2, Z = P, As, Sb), with a quasi-triangular lattice comprising the dimer unit [Pd(dmit)2]2− belong to a strongly correlated electron system with geometrical frustration. Intra and interdimer transfer integrals between the frontier molecul…
The structural, morphological, and adsorption properties of MCM-41 porous silicas are investigated using a realistic numerical model obtained by means of ab initio calculations [Ugliengo, P.; et al. Adv. Mater.2008, 20, 1]. Simulated X-ray diffraction, small angle neutron scattering, and electronic microscopy for the…
A great effort has been exerted to develop drug carriers aiming at satisfying the requirements, such as safety, greater efficiency, predictable therapeutic response, and prolonged release period. The present study aims at developing the use of zinc oxide nanoparticles as a carrier as a function of particle size for am…
Liquid crystalline behavior of polymeric materials is of considerable current interest in the last decades, but due to many different and distinct characteristics. Polyazomethines liquid crystalline polymers have received considerable attention due to their potential applications and considered as one of the most impo…
Calcium bismuth niobate ( CaBi 2 Nb 2 O 9 , CBN ) is a high Curie temperature ( T C =930°C) ferroelectrics material and a promising candidate for high‐temperature piezoelectric applications. This study focuses on the effect of the grain size on the electric properties and thermal stability of CBN ceramics. The CBN cer…
Liquid phase functionalisation of carbon nanotubes is carried out via a H 2 SO 4 + HNO 3 mixture, and the effect of the sulphuric to nitric acid volume ratio (1:3–3:1) is systematically investigated by means of complementary techniques, observing the expected progressive downgrade of the crystalline quality, along wit…
Au/Ag core/shell bipyramids were used as surface‐enhanced Raman scattering (SERS) substrates to determine the thiram. The metallic substrates showed high SERS performance and are very suitable for the analytical sensors. The fabrication and characterization of the Au/Ag core/shell bipyramids were described. The influe…
We assessed the performance of our perturbative explicitly correlated coupled-cluster method, CCSD(T)F12, for accurate prediction of chemical reactivity. The reference data included reaction barrier heights, electronic reaction energies, atomization energies, and enthalpies of formation from the following sources: (1)…
Synthetic approaches based on deep eutectic solvents allow the preparation of phophate-functionalized carbon monoliths with a hierarchical structure. Both functionalization and hierarchy—combining macropores and high surface areas while preserving high monolith densities—are critical for the ahievement of remarkable e…
Percolation generally refers to the phenomenon of abrupt variations in electrical, magnetic, or optical properties caused by gradual volume fraction changes of one component across a threshold in bicomponent systems. Percolation behaviors have usually been observed in macroscopic systems, with most studies devoted to…
θ' (Al2Cu) precipitates in Al-Cu-Ag alloys were examined using high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). The precipitates nucleated on dislocation loops on which assemblies of γ' (AlAg2) precipitates were present. These dislocation loops were enriched in silver prior to θ' p…
A new iridium containing layered cuprate material, IrSr_2Sm_{1.15}Ce_{0.85}Cu_{2.175}O_{10, has been synthesized by conventional ambient-pressure solid-state techniques. The material's structure has been fully characterized by Rietveld refinement of high resolution synchrotron X-ray diffraction data; tilts and rotatio…
This study investigates the strong photoluminescence (PL) and X-ray excited optical luminescence observed in nitrogen-functionalized 2D graphene nanoflakes (GNFs:N), which arise from the significantly enhanced density of states in the region of π states and the gap between π and π* states. The increase in the number o…
The exciton transport in the prototypical organic semiconductor Di-Indeno-Perylene (DIP) has been investigated by means of photoluminescence (PL) quenching and interpreted by an advanced exciton diffusion model including interference effects, quencher penetration as well as non-perfect exciton quenching. X-ray difract…
Recent years have seen vast improvements in the ability of rigorous quantum-mechanical methods to treat systems of interest to molecular biology. In this review article, we survey common computational methods used to study such large, weakly bound systems, starting from classical simulations and reaching to quantum ch…
Strong Stark splitting, which is nearly independent of the R-ions replacement, has been observed through the photoluminescence investigation of electronic ferroelectric Er1-xYbxFe2O4 (x=0, 0.8, 0.9 and 0.95). Initially multiple radiative decay channels have been investigated, especially the visible transition 4F9/2-->…
There is growing interest in bismuth-doped silicon (Si:Bi) as an alternative to the well-studied proposals for silicon based quantum information processing (QIP) using phosphorus-doped silicon (Si:P). We focus here on the implications of its anomalously strong hyperfine coupling. In particular, we analyse in detail th…