Materials Literature
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Hybrid graphene oxide (GO)/poly(3-hexylthiophene-2,5-diyl) (P3HT) sheets are assembled via π-π interaction and carefully isolated from the nonreacted precursors. The mutual influence of the two phases can be sharply manifested in this layer-to-layer configuration because it is undiluted by excess of one phase. To inve…
We propose a combined computational scheme to predict the thermoelectric properties of organic semiconductors, taking α-form phthalocyanine crystals H2Pc, CuPc, NiPc, and TiOPc as examples. This completely parameter-free approach combines first-principles band structure calculations, Boltzmann transport theory, deform…
The development of green experimental processes for the synthesis of nanoparticles is a need in the field of nanotechnology. In the present study, the authors reported rapid synthesis of silver nanoparticles using fresh leaves extract of Cymbopogan citratus (lemongrass) with increased stability. The synthesised silver…
We demonstrate the collective roles of surfactant–triacylglycerol interactions and confined gap shear crystallization on the creation of novel microstructured water-in-oil emulsions containing solid lipid-encapsulated water droplets. The emulsions studied consisted of 20 wt % water dispersed in a mixture of canola oil…
We have investigated the structural and electronic properties as well as the linear optical response of amorphous TiO${}_{2}$ within density functional theory and a numerically efficient density functional based tight-binding approach as well as many-body perturbation theory. The disordered TiO${}_{2}$ phase is modele…
Abstract Composites in load‐bearing applications are often exposed to off‐axis loads. For plant fiber composites (PFCs) to be seriously and readily considered in structural applications, knowledge and reliable prediction of their response to off‐axis loads is critical. This article (i) characterizes the stress–strain…
We report on the performance of supercapacitor devices fabricated using 1-pyrenecarboxylic acid (PCA)-functionalized graphene electrodes. The specific capacitances obtained (using 6 M KOH aqueous solution as an electrolyte) was found to be an order of magnitude higher than nonfunctionalized graphene electrodes (∼30 an…
O-O bond formation catalyzed by a variety of β-octafluoro hangman corrole metal complexes was investigated using density functional theory methods. Five transition metal elements, Co, Fe, Mn, Ru, and Ir, that are known to lead to water oxidation were examined. Our calculations clearly show that the formal Co(V) cataly…
Abstract Poly(lactic acid) (PLA)/halloysite nanotubes (HNT) nanocomposites were prepared by melt extrusion using a masterbatch dilution process. Effect of addition of both unmodified halloysites (HNT) and quaternary ammonium salt treated halloysites (m‐HNT) was investigated at different nanofiller contents. A homogene…
In this letter, the electrocaloric effect (ECE) of 〈111〉- and 〈001〉-oriented 0.71PbMg1/3Nb2/3O3-0.29PbTiO3 (0.71PMN-0.29PT) single crystals is investigated with emphasis on the effects of phase transitions and their dependence on electric field. We show that crystal orientation and more specifically the complex phase…
A novel supramolecular amphiphilic polymer constructed by crown ether-based molecular recognition has been fabricated and demonstrated to self-assemble into core–shell supramolecular micelles in water. The reversible transition between assembled and disassembled structures can be achieved by changing the pH. This tran…
The aggregation of peptides into amyloid fibrils plays a crucial role in various neurodegenerative diseases. While it has been generally recognized that fibril formation in vivo may be greatly assisted or accelerated by molecular surfaces, such as cell membranes, little is known about the mechanism of surface-mediated…
In this work, we report on the microwave-assisted hydrothermal synthesis of Sn 2+ -doped ZnWO 4 nanocrystals with controlled particle sizes and lattice structures for tunable optical and photocatalytic properties. The samples were carefully characterized by X-ray diffraction, transmission electron microscopy, inductiv…
The conversion of epoxy to carbonyl group in graphene oxide (GO) thin films has been carried out via oxygen plasma treatment, and the effects of this conversion on structural and optical properties were investigated. Hydrophilicity of the prepared GO solution allows it to be uniformly deposited onto substrates in the…
Food Materials Science and Engineering covers a comprehensive range of topics in relation to food materials, their properties and characterisation techniques, thus offering a new approach to understanding food production and quality control. The opening chapter will define the scope and application of food materials s…
We present the investigation of a monoclinic compound SeCuO${}_{3}$ using x-ray powder diffraction, magnetization, torque, and electron-spin-resonance. Structurally based analysis suggests that SeCuO${}_{3}$ can be considered as a three-dimensional network of tetramers. The values of intratetramer exchange interaction…
In contrast with recent claims that the Heyd-Scuseria-Ernzerhof (HSE) screened hybrid functional can provide a good description of the electronic and magnetic structures of VO${}_{2}$ phases [Eyert, Phys. Rev. Lett. 107, 016401 (2011)], we show here that the HSE lowest-energy solutions for both the low-temperature mon…
Stranski-Krastanov (SK) growth is reported experimentally as the growth mode that is responsible for the transition to three dimensional islands in heteroepitaxial growth. A kinetic Monte Carlo (KMC) model is proposed that can replicate many of the experimentally observed features of this growth mode. Simulations reve…
Cocrystals constitute an important class of pharmaceutical solids for their remarkable ability to modulate solubility and pH dependence of water insoluble drugs. Here we show how cocrystals of indomethacin-saccharin (IND-SAC) and carbamazepine-saccharin (CBZ-SAC) enhance solubility and impart a pH-sensitivity differen…
We report on a pronounced specific-ion effect on the intermolecular and chiral organization, supramolecular structure formation, and resulting materials properties for a series of low molecular weight peptide-based hydrogelators, observed in the presence of simple inorganic salts. This effect was demonstrated using ar…