Materials Literature
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In this paper, we discuss the validity of the band structure concept in silicon nanocrystals a few nanometers in size. We introduce a general method which allows reconstruction of a fuzzy electronic band structure of nanocrystals from ordinary real-space electronic structure calculations. A comprehensive study of the…
Chalcogenide glasses are based on sulfur, selenium and tellurium elements, and have been studied for several decades regarding different applications. Among them, selenide glasses exhibit excellent infrared transmission in the 1 to 15 µm region. Due to their good thermo-mechanical properties, these glasses could be ea…
We have applied scanning tunneling spectroscopy in studies of the electronic level structure of surface-functionalized colloidal Si nanocrystals (Si-NCs) as a function of their size for various capping ligands. The energy gaps extracted from the tunneling spectra increase with decreasing NC size, manifesting the effec…
Thanks to Victor Veselago for his hypothesis of negative index of refraction, meta-materials — engineered composites — can be designed to have properties difficult or impossible to find in nature: they can have both electrical permittivity (ϵ) and magnetic permeability (μ) simultaneously negative. The metamaterials —…
The exchange bias effect in compensated IrMn3/Co(111) system is studied using multiscale modeling from "ab initio" to atomistic calculations. We evaluate numerically the out-of-plane hysteresis loops of the bi-layer for different thickness of the ferromagnetic layer. The results show the existence of a perpendicular e…
Herein we report on the thermal expansions and temperature-dependent crystal structures of select ternary carbide Mn+1AXn (MAX) phases in the Ti–Al–C phase diagram in the 100−1000 °C temperature range. A bulk sample containing 38(±1) wt. % Ti5Al2C3 (“523”), 32(±1) wt. % Ti2AlC (“211”), 18(±1) wt. % Ti3AlC2 (“312”), an…
Abstract Along with reduced graphene oxide (RGO), water soluble Prussian blue nanoparticles (PBNPs, around 6 nm) are synthesized and broadly characterized. These two types of highly stable, low‐cost and chemically compatible nanomaterials are exploited as building ingredients to prepare electrically enhanced and funct…
Schiff base N,N′-bis(2-hydroxyethoxyacetophenone)-2,2-dimethyl-1,2-propanediimine (H 2 (hppnptn)) as corrosion inhibitor for API 5L grade B low carbon steel in hydrochloric acid solutions has been studied using electrochemical techniques and surface techniques. Results showed that the inhibition occurs through adsorpt…
We report a numerical implementation of the Landau-Lifshitz-Baryakhtar theory, which dictates that the micromagnetic relaxation term obeys the symmetry of the magnetic crystal, i. e. replacing the single intrinsic damping constant with a tensor of corresponding symmetry. The effect of anisotropic relaxation is studied…
Lead-free (Ba1−xCax)(Zr0.1Ti0.9)O3(BCZT) ceramics were synthesized by conventional solid-state sintering process. The Ca ion substitutions on phase transition behavior, microstructure, ferroelectric and piezoelectric properties of BCZT ceramics were systemically investigated. The diffuse phase transition (DPT) behavio…
The performance of torsemide and furosemide drugs as corrosion inhibitors for mild steel in 1 N HCl was thoroughly investigated by weight loss and electrochemical methods. The inhibition efficiencies of drugs obtained by all methods were in good agreement with each other. Torsemide exhibited higher inhibition efficien…
The viscosity of an optical fibre over 1000 to 1150 °C is studied by inscribing an optical fibre Bragg grating that can withstand temperatures up to 1200 °C and monitoring fibre elongation under load through the Bragg wavelength shift. This optical interrogation offers high accuracy and reliability compared to direct…
We present novel structural motifs for boron-carbon nano-cages of the stochiometries B12C48 and B12C50, based on first principle calculations. These configurations are distinct from those proposed so far by the fact that the boron atoms are not isolated and distributed over the entire surface of the cages, but rather…
Adsorption of dimers is modelled using random sequential adsorption algorithm. The interaction between molecules is given by screened electrostatic potential. The paper focuses on the properties of adsorbed monolayers as well as the dependence of adsorption kinetics on interaction range. We designate random maximal co…
Electron spin relaxation due to the D'yakonov-Perel' mechanism is investigated in bilayer graphene with only the lowest conduction band being relevant. The spin-orbit coupling is constructed from the symmetry group analysis with the parameters obtained by fitting to the numerical calculation according to the latest re…
Smart stars: A novel star–star supramolecular architecture was self-assembled from a star-shaped adamantyl-terminated 8-arm poly(ethylene glycol) and a star-shaped poly(N-isopropylacrylamide) with a β-cyclodextrin core through inclusion complexation. The star–star supramolecules further self-aggregated into a 3D netwo…
Efficiency is defined as η = |Q|/|W| in order to investigate the electrical work |W| associated with electrocaloric heat |Q|. This materials parameter indicates that polymer films are slightly more energy efficient than ceramic films, and therefore both species of material remain candidates for future cooling applicat…
ABSTRACT Synthesis of Fe 3 O 4 /polyaniline (PANI) core/shell hybrid microspheres through an in situ polymerization route with the 300 nm Fe 3 O 4 microspheres as the cores and nucleation sites for PANI is reported. PANI shell thickness, from 30 nm to 120 nm, can be controlled by modulating the weight ratio of aniline…
A dense, conformal, thin-film coating of Pr0.75Sr0.2MnO3−δ (PSM) and PrSrCoMnO6–δ (PSCM) on a state-of-the-art La0.6Sr0.4Co0.2Fe0.8O3−δ (LSCF)-based cathode for solid oxide fuel cells (SOFC) has drastically enhanced the electro-catalytic activity and stability of the cathode, suggesting that they are excellent electro…
A new type of absorber, a four-tined fish-spear-like resonator (FFR), constructed by the two-photon polymerization process, is reported. An absorbance of more than 90% is experimentally realized and the resonance occurs in the space between the tines. Since a continuous layer of metallic thin film covers the structure…