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Molecular dynamics simulation of three plastic additives’ diffusion in polyethylene terephthalate

Bo Li、Zhiwei Wang、Qin‐Bao Lin 等 4 位作者2017-03-27Food Additives & Contaminants Part A

Accurate diffusion coefficient data of additives in a polymer are of paramount importance for estimating the migration of the additives over time. This paper shows how this diffusion coefficient can be estimated for three plastic additives [2-(2'-hydroxy-5'-methylphenyl) (UV-P), 2,6-di-tert-butyl-4-methylphenol (BHT)…

Polymer crystallization and propertiesMicroplastics and Plastic PollutionRecycling and Waste Management Techniques

Energy Absorption Capability of Axially Compressed Woven Natural Ramie/Green Epoxy Square Composite Tubes

Majid Jafarzadeh Ghoushji、R.A. Eshkoor、Rozli Zulkifli 等 6 位作者2017-03-27Journal of Reinforced Plastics and Composites

This study focuses on failure response and energy absorption of woven ramie epoxy square composite tubes when exposed to the axial quasi-static compression test. Hand lay-up technique was used to prepare the rectangular composite tubes composed of 12 layers of ramie fabric with a thickness of 1.7 mm and 50-, 80-, and…

Natural Fiber Reinforced CompositesTextile materials and evaluationsTree Root and Stability Studies

Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies and ab Initio Metadynamics Simulation

Rodolphe Pollet、Célia S. Bonnet、Pascal Retailleau 等 5 位作者2017-03-27Inorganic Chemistry

The proton-exchange process between water and a carbamate has been studied experimentally and theoretically in a lanthanide-based paramagnetic chemical exchange saturation transfer agent endowed with potential multimodality detection capabilities (optical imaging, or T 1 MRI for the Gd(III) analogue). In addition to a…

Magnetism in coordination complexesRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

Hyperuniformity variation with quasicrystal local isomorphism class

Chaney Lin、Paul J. Steinhardt、Salvatore Torquato2017-03-27Journal of Physics Condensed Matter

Hyperuniformity is the suppression of long-wavelength density fluctuations, relative to typical structurally disordered systems. In this paper, we examine how the degree of hyperuniformity [[Formula: see text]] in quasicrystals depends on the local isomorphism class. By studying the continuum of pentagonal quasicrysta…

Quasicrystal Structures and PropertiesMineralogy and Gemology Studies

Mechanical and Antibacterial Properties of Silicone Rubber Compounds Filled with Silver-Zirconium Phosphate Modified by Aluminate Coupling Agent

Fang Liu、Hu Chen2017-03-27Polymer-Plastics Technology and Engineering

In this paper, methyl vinyl silicone rubber vulcanizates were filled with silver-zirconium phosphate treated with aluminate coupling agent. The effect of the surface modification was characterized by the Fourier transform infrared and viscosity methods. The dispersion of silver-zirconium phosphate in ethanol and methy…

Conducting polymers and applicationsPolyoxometalates: Synthesis and ApplicationsSilicone and Siloxane Chemistry

Observation of variable hybridized-band gaps in Eu-intercalated graphene

Sijin Sung、Sooran Kim、Paengro Lee 等 9 位作者2017-03-27Nanotechnology

We report europium (Eu)-induced changes in the π-band of graphene (G) formed on the 6H-SiC(0001) surface by a combined study of photoemission measurements and density functional theory (DFT) calculations. Our photoemission data reveal that Eu intercalates upon annealing at 120 °C into the region between the graphene a…

Advancements in Battery MaterialsGraphene research and applications2D Materials and Applications

Spatial inhomogeneity in Schottky barrier height at graphene/MoS 2 Schottky junctions

Dushyant Tomer、S. Rajput、L Li2017-03-27Journal of Physics D Applied Physics

Abstract Transport properties of graphene semiconductor Schottky junctions strongly depend on interfacial inhomogeneities due to the inherent formation of ripples and ridges. Here, chemical vapor deposited graphene is transferred onto multilayer MoS 2 to fabricate Schottky junctions. These junctions exhibit rectifying…

Graphene research and applicationsSemiconductor materials and interfacesSurface and Thin Film Phenomena

Porous and Magnetic Molecularly Imprinted Polymers via Pickering High Internal Phase Emulsions Polymerization for Selective Adsorption of λ-Cyhalothrin

Yun‐Long Wu、Yue Ma、Jianming Pan 等 5 位作者2017-03-27Frontiers in Chemistry

A novel macroporous magnetic molecularly imprinted polymer (MMIPs) of was prepared by W/O Pickering (high internal phase emulsions) HIPEs polymerization, and then it was adopted as adsorbent for selective adsorption of λ-cyhalothrin (LC). In static conditions, adsorption capacity of LC increased rapidly in the first 6…

Analytical chemistry methods developmentSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Effect of phase separation on water resistance of green waterborne polyurethanes: Unexpected stronger impact compared to hydrophilic segments

Yao Xiao、Lixia Bao、Xiaowei Fu 等 7 位作者2017-03-27Advances in Polymer Technology

Abstract Effect of phase separation on the water resistance of green waterborne polyurethanes was discussed for the first time. Phase separation was studied through the application of dynamic mechanical analysis. Water resistance was characterized by water absorption ratio and water contact angle. The results showed t…

Surface Modification and SuperhydrophobicityPolymer Nanocomposites and PropertiesPolymer composites and self-healing

Probe Diffusion of Sol–Gel Transition in an Isorefractive Polymer Solution

Xiang Li、Nobuyuki Watanabe、Takamasa Sakai 等 4 位作者2017-03-27Macromolecules

The sol–gel transition of tetrafunctional polymers with mutual reactive end-groups was investigated by analyzing the dynamics of probe particles via dynamic light scattering. The dynamics of probe particles was exclusively observed by matching the refractive index of the solvent and the polymers. The sol–gel transitio…

Liquid Crystal Research AdvancementsHydrogels: synthesis, properties, applicationsSurfactants and Colloidal Systems

Photoluminescence of Lead Sulfide Quantum Dots of Different Sizes in a Nanoporous Silicate Glass Matrix

Aleksandr P. Litvin、Anton A. Babaev、Petеr S. Parfenov 等 9 位作者2017-03-27The Journal of Physical Chemistry C

The optical properties of lead sulfide quantum dots (QDs) of different sizes embedded in a nanoporous silicate glass matrix (NSM) are investigated by steady-state and transient photoluminescence spectroscopy. The use of this matrix allows the fabrication of samples with reproducible optical characteristics, for both i…

Luminescence Properties of Advanced MaterialsQuantum Dots Synthesis And PropertiesCarbon and Quantum Dots Applications

Neutralization of an epitaxial graphene grown on a SiC(0001) by means of palladium intercalation

Kazuma Yagyu、Kazutoshi Takahashi、Hiroshi Tochihara 等 5 位作者2017-03-27Applied Physics Letters

Pd-intercalated graphene grown on a SiC(0001) substrate was investigated using STM, angle-resolved photoemission spectroscopy, and XPS. Pd atoms deposited at room temperature on a zero layer graphene grown on a SiC(0001) substrate were intercalated between the zero layer graphene and the SiC substrate after the therma…

Advancements in Battery MaterialsGraphene research and applicationsSurface and Thin Film Phenomena

Investigation on the microscopic mechanism of potassium permanganate modification and the properties of ramie fiber/polypropylene composites

Liping He、Wenjun Li、Dachuan Chen 等 7 位作者2017-03-27Polymer Composites

The microscopic mechanism of potassium permanganate (KMnO 4 ) modification and the properties of ramie fiber/polypropylene (RF/PP) composites were investigated with experiments and molecular dynamics (MD) simulations at the molecular and atomic levels. The MD simulations suggested that the microscopic modification mec…

Natural Fiber Reinforced CompositesAdvanced Cellulose Research StudiesElectromagnetic wave absorption materials

The relationships between washing parameters, fabric movement, and wrinkling in a top-loading washer

Hong Liu、Yanyan Wang、Hugh Gong 等 5 位作者2017-03-27Textile Research Journal

Easy care for clothing is increasingly important, but the major problem is still the severe wrinkles formed on garments after machine washing. In this research, orthogonal tests and the analysis of variance (ANOVA) at a 95% confidence level were used to determine the critical parameters that affect fabric smoothness.…

Textile materials and evaluationsColor Science and ApplicationsColor perception and design

The effects of environment on Arctica islandica shell formation and architecture

Stefania Milano、Gernot Nehrke、Alan D. Wanamaker 等 6 位作者2017-03-27Biogeosciences

Abstract. Mollusks record valuable information in their hard parts that reflect ambient environmental conditions. For this reason, shells can serve as excellent archives to reconstruct past climate and environmental variability. However, animal physiology and biomineralization, which are often poorly understood, can m…

Marine Bivalve and Aquaculture StudiesCalcium Carbonate Crystallization and InhibitionCephalopods and Marine Biology

Microstructural tissue-engineering in the rachis and barbs of bird feathers

Theagarten Lingham‐Soliar2017-03-27Scientific Reports

Feathers do not have to be especially strong but they do need to be stiff and at the same time resilient and to have a high work of fracture. Syncitial barbule fibres are the highest size-class of continuous filaments in the cortex of the rachis of the feather. However, the rachis can be treated as a generalized cone…

Cellular Mechanics and InteractionsSkin and Cellular Biology ResearchSilk-based biomaterials and applications

Equivalent realizations of reciprocal metasurfaces: Role of tangential and normal polarization

Mohammad Albooyeh、Do‐Hoon Kwon、Filippo Capolino 等 4 位作者2017-03-27Physical review. B./Physical review. B

We discuss possible topologies of physically different metasurfaces with equivalent macroscopic electromagnetic responses. We specifically demonstrate that the presence of normal components (with respect to the metasurface plane) of the polarization currents does not add any functionality in engineering the reflection…

Antenna Design and AnalysisMetamaterials and Metasurfaces ApplicationsAdvanced Antenna and Metasurface Technologies

Photoreductive Elimination of Chlorine from Antimony in an [SbPd]VII Complex

Sumit Sahu、François P. Gabbaı̈2017-03-27Journal of the American Chemical Society

As part of our ongoing interest in main group species that support the photoreductive elimination of halogens, we have synthesized [Cl 3 Sb V Pd II Cl 2 ( o -dppp) 2 ] ( o -dppp = o -(Ph 2 P)C 6 H 4 ), a palladium dichloride complex featuring a Lewis acidic trichlorostiborane moiety positioned within the ligand archit…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsInorganic Fluorides and Related Compounds

The theoretical link between voltage loss, reduction in field enhancement factor, and Fowler-Nordheim-plot saturation

Richard G. Forbes2017-03-27Applied Physics Letters

With a large-area field electron emitter, when an individual post-like emitter is sufficiently resistive, and current through it is sufficiently large, then voltage loss occurs along it. This letter provides a simple analytical and conceptual demonstration that this voltage loss is directly and inextricably linked to…

Carbon Nanotubes in CompositesAdvancements in Semiconductor Devices and Circuit DesignElectrostatic Discharge in Electronics

Facile synthesis of graphene/polypyrrole 3D composite for a high‐sensitivity non‐enzymatic dopamine detection

Zhou Rui、Wei Huang、Yong Chen 等 6 位作者2017-03-27Journal of Applied Polymer Science

ABSTRACT One kind of nanocomposite consisting of graphene and polypyrrole was synthesized via a facile and mild way with the assistant of microwave irradiation. The synthesis route was embedding the polypyrrole into the graphene flakes to form a 3D structure, to achieve larger active surface and higher electro‐catalys…

Graphene research and applicationsElectrochemical sensors and biosensorsConducting polymers and applications