Materials Literature
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Strontium titanate is a promising dielectric material for device applications including capacitors and gate dielectrics. However, oxygen vacancies, which are inevitable donor defects mobile under bias at room temperature, lead to undesirable leakage current in SrTiO3 thin films. Epitaxially grown SrTiO3 on lattice mis…
We generate a wide range of hexagonal sheet-based ZnO polymorphs inspired by enumeration of their characteristic underlying nets. Evaluating the bulk and nanofilm stabilities of these structures with ab initio calculations allows for an unprecedented overview of (nano)polymorphism in wurtzite materials. We find a rich…
Core losses in power magnetic components are important factors in their design. These losses are influenced by factors including frequency, temperature, and flux density waveform. A common empirical model to predict these losses is the Steinmetz equation and its derivatives such as the modified Steinmetz equation and…
Fibrous textile materials are widely used in acoustic applications. However, the absorption of lower-frequency sound is problematic with fibrous material made up of coarser fibers. For this reason sound absorption materials effective at low frequencies are required. For low-frequency sound absorption the energy of son…
The proton transport pathways in an acid-base complex consisting of a phosphonic acid group and a 1,2,3-triazolyl group were studied using density functional theory (DFT) calculations in terms of stable configurations and transition states of the molecular or ionic dimers and trimers and verified by proof-of-concept e…
Tyrosinase could oxidize tyrosyl residues in silk fibroin and result in the production of activated o ‐quinone residues, which could facilitate the grafting of the functional amino‐compounds onto silk fibers. In this study, the enzymatic modifications of B ombyx mori silk fibroin with tyrosinase and chitosan were inve…
The procedure to extract and identify from broken-symmetry density functional theory (BS-DFT) calculations the various components of the magnetic couplings in diradicals [J. Chem. Phys. 2012, 137, 114106] is re-examined. It is shown that this previous decomposition scheme fails for systems exhibiting large core polari…
We present an infrared transmission spectroscopy study of the inter-Landau-level excitations in quasineutral epitaxial graphene nanoribbon arrays. We observed a substantial deviation in energy of the L(0(-1)) → L(1(0)) transition from the characteristic square root magnetic-field dependence of two-dimensional graphene…
ABSTRACT The primary objective of this study was the investigation of thermo‐mechanical behavior of cellulosic fiber reinforced polylactid (PLA) and poly(3‐hydroxybutyrate‐ co ‐3‐hydroxyvalerate) (PHBV) biopolymers. Both PLA and PHBV were processed with 30 wt % of cellulosic fibers; moreover, to improve the processabi…
We measured the resistivity and the specific heat of CsFe${}_{2}$As${}_{2}$ single crystals, which were grown by using a self-flux method. The CsFe${}_{2}$As${}_{2}$ crystal shows a sharp superconducting transition at 1.8 K with a transition width of 0.1 K. The sharp superconducting transition and pronounced jump in s…
The XAS/WAXS time-resolved method was applied for unraveling the complex mechanisms arising from the evolution of several metastable intermediates during the degradation of chlorine layered double hydroxide (LDH) upon heating to 450 °C, i.e., Zn 2 Al(OH) 6 · n H 2 O, ZnCuAl(OH) 6 · n H 2 O, Zn 2 Al 0.75 Fe 0.25 (OH) 6…
In order to mimic amphipathic α-helices, a novel scaffold based on a 1,2-diphenylacetylene was designed. NMR and computational modeling confirmed that an intramolecular hydrogen bond favors conformations of the 1,2-diphenylacetylene that allow for accurate mimicry of the i, i + 7 and i + 2, i + 5 side chains found on…
We study features in the optically detected magnetic resonance (ODMR) signals associated with negatively charged nitrogen-vacancy (NV${}^{\ensuremath{-}}$) centers coupled to other paramagnetic impurities in diamond. Our results are important for understanding ODMR line shapes and for optimization of devices based on…
In this work, we studied the effect of rapid thermal oxidation process on the structural and surface morphology of silicon nanocrystal-based heterostructures. PLD technique was employed in combination with rapid thermal oxidation process to form multilayers heterostructures. Results show the dependence of the surface…
A method incorporating the full diffusion-governed solidification kinetics and the ternary phase diagram into a multiphase volume average solidification model is presented. The motivation to develop such a model is to predict macrosegregation in castings. A key feature of this model, different from most previous ones…
We demonstrate a simple route to versatile electrically addressable conductive polymer graft copolymer systems. The monomer of poly(3,4-ethylenedioxythiophene), one of the commercially most important conductive polymers, was modified by the addition of an ATRP-initiating site to grow brushes from. The modified monomer…
ABSTRACT The basic objective of this study is to investigate the mechanical properties of tyre tread compounds by gradual replacement of carbon black by multiwalled carbon nanotubes (MWCNTs) in a natural rubber–butadiene rubber‐based system. A rapid change in the mechanical properties is noticed even at very low conce…
ABSTRACT Hydroxyethyl methyl acrylate (HEMA) capped waterborne polyurethane‐acrylate (WPUA) oligomer was firstly prepared from isophorone diisocyanate (IPDI), polyether polyol (NJ‐220), dimethylolbutanoic acid (DMBA), HEMA via in‐situ and anionic self‐emulsifying method. Ultraviolet (UV) curable WPUA coating was obtai…
Abstract Measurement of local disorder and lattice vibrations is of great importance for understanding the mechanisms whereby thermoelectric materials efficiently convert heat to electricity. Attaining high thermoelectric power requires minimizing thermal conductivity while keeping electric conductivity high. This sit…
Small semiconductor nanoclusters are important for understanding the initial formation and growth of quantum dots and also for application, for example in the tunability provided by size. However, electronic structures and effects of capping ligands have not been systematically characterized. Thus, ground and excited…