Materials Literature
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The development of efficient, inexpensive, and nontoxic catalysts for cycloaddition of CO2 with epoxides to produce five-membered cyclic carbonates is a very interesting topic. In this work, cycloaddition of CO2 with propylene oxide (PO) to produce propylene carbonate (PC) catalyzed by potassium halides (KCl, KBr, and…
It′s all your fault! Microporous titanosilicate ETS-10 crystals have been analyzed by advanced electron microscopy techniques. With the last generation of spherical aberration corrected electron microscopes, truly atomic resolution images have been recorded. Owing to the extremely high-resolution images that have been…
We theoretically analyze the optoelectronic properties of single crystals of 2,5-bis(4-biphenylyl) bithiophene (BP2T) and 2-(4-biphenyl)-5-[5-(4-biphenyl)-2-thienyl] furan (BPFT) molecules, aiming to provide a guiding principle for the material design of organic light-emitting transistors. The X-ray structure analysis…
In spite of its wide use, the properties of the CaO/CaCO 3 system are still far from being understood, especially the mechanisms underlying the transition between both phases. To investigate this issue, important in practice for storage devices, we employ first-principles atomic-scale simulations of the solid–gas inte…
Inconel 690 and the companion filler metal 52M (FM-52M) have susceptibility of ductility dip cracking (DDC) in welding procedure. According to test results, DDC was not only preferential to propagate on grain boundaries vertical to loading direction but also related to grain boundary structure. To reveal the relation…
The feasibility of a high speed ferroelectric graphene memory device using a ferroelectric polymer (PVDF-TrFE)/graphene stack has been demonstrated. The conductivity of this metal-ferroelectric-graphene (MFG) device could be modulated up to 775% with a very fast programming speed down to 10 ns. Also, programmed states…
The first wetting layer on the GaN (0001) surface has been investigated at the level of density functional theory. Many water adsorption models have been analyzed and it is observed that the number of water molecules that can be dissociated is limited to 0.375 ML of adsorption sites; further water dissociation will co…
Thirty-five years ago, Sanders and Walton [Phys. Rev. B 15, 1489 (1977)] proposed a method to measure the phonon-magnon interaction in antiferromagnets through thermal transport which so far has not been verified experimentally. We show that a dynamical variant of this approach allows direct extraction of the phonon-m…
Mixed-mode fracture parameters were determined numerically for a cracked straight-through flattened Brazilian disk (CSTFBD) specimen containing an angled center crack and subjected to diametral-distributed uniform compressive loading. The stress-intensity factors (KI and KII) and the T -stress were calculated from fin…
This study, which pertains to the butt welding of 590 MPa high strength steel plates with a high power laser over gaps, was conducted to investigate weld penetration characteristics, to clarify welding phenomena, and to develop procedures for obtaining high quality joints. Butt welding was performed on 12 mm thick pla…
A series of cobalt(III) complexes LCoX, where L = 5,10,15,20-tetraphenylporphyrin (TPP), 5,10,15,20-tetrakis(pentafluorophenyl)porphyrin (TFPP), and 2,3,7,8,12,13,17,18-octaethylporphyirn (OEP) and X = Cl or acetate, has been investigated for homopolymerization of propylene oxide (PO) and copolymerization of PO and CO…
Ti-doped ZnO (ZnO/Ti) thin films were grown on indium tin oxide substrates by a facile electrodeposition route. The morphology, crystal structure and resistive switching properties were examined, respectively. The morphology reveals that grains are composed of small crystals. The (002) preferential growth along c-axis…
A group of muscular dystrophies, dystroglycanopathy is caused by abnormalities in post-translational modifications of dystroglycan (DG). To understand better the pathophysiological roles of DG modification and to establish effective clinical treatment for dystroglycanopathy, we here generated two distinct conditional…
The deformation and failure of fully-clamped rectangular plates subjected to zero-period, uniform-momentum impulsive loads are studied. Analytical predictions are given for the critical velocities corresponding to the transition between deformation modes. Three-dimensional (3D) numerical analyses were performed using…
We have used a combination of X-ray and electron energy-loss spectroscopies along with DFT calculations to investigate the electronic structure of PTI/LiCl, a graphitic carbon nitride-type material with LiCl intercalation shown to photocatalyze the water-splitting reaction. The material is shown to have a band gap tha…
Separation of short single- and double-stranded DNA typically requires gel electrophoresis followed by DNA extraction, which is a time consuming process. Graphene oxide adsorbs single-stranded DNA more quickly than double-stranded ones, allowing for selective removal of the former with a simple mixing and centrifugati…
Dielectric frequency response, also known as frequency-domain spectroscopy (FDS), was introduced about a decade ago as the preferred method for measuring moisture content in the cellulose insulation of power transformers. A conventional FDS measurement is carried out as a frequency sweep down until 100 μHz, thus causi…
We report the synthesis and characterization of thienylenevinylene-based donor–acceptor alternating copolymers (PTVPhI-Eh and PTVPhI-C12) as highly efficient ambipolar semiconductors in a thin film transistor. These polymers exhibit significantly improved hole and electron mobilities after thermal annealing. To determ…
Hierarchically ordered microstructures, self-assembled from copolymers, have drawn considerable attentions in the last decades. Study of hierarchical microstructure impacts many realms such as material engineering and biology science. In this article, notable recent advances in the fields of hierarchical polymeric mic…
We study the dynamic fracture of thin layers of suspensions of non-Brownian rigid particles. The impact of a projectile triggers a liquid-to-solid transition and a hole opens in the layer. We show that the occurrence of fracture and the spatial and dynamic features of the cracks depend mostly on the thickness of the l…