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Quantum Chemistry Modeling of Luminescence Kinetics of Ag Nanoclusters Dispersed in Glass Host

Mikhail V. Shestakov、Ngo Tuan Cuong、V. K. Tikhomirov 等 6 位作者2013-03-25The Journal of Physical Chemistry C

CASSCF/CASPT2/RASSI quantum chemistry methods have been applied for the first time to model/compute kinetics of luminescence of Ag nanoclusters dispersed within the bulk of oxyfluoride glass. Namely the Ag 4 2+ tetramers have been investigated because they are argued to be dominant Ag nanoclusters in these glasses. Th…

Luminescence Properties of Advanced MaterialsLanthanide and Transition Metal ComplexesNanocluster Synthesis and Applications

Confinement Effects on UV–Visible Absorption Spectra: β-Carotene Inside Carbon Nanotube as a Test Case

Gregorio García、Ilaria Ciofini、Manuel Fernández‐Gómez 等 4 位作者2013-03-25The Journal of Physical Chemistry Letters

The effect of the confinement in a single-wall carbon nanotube on the optical properties of β-carotene is studied at the time-dependent density functional theory level. A complex computational protocol has been developed, based on a multilayered ONIOM approach making use of a recent range-separated hybrid functional a…

Carbon Nanotubes in CompositesPhotosynthetic Processes and MechanismsPorphyrin and Phthalocyanine Chemistry

Preparation of curcumin-loaded pluronic F127/chitosan nanoparticles for cancer therapy

Thi Minh Phuc Le、Van Phuc Pham、Thi Minh Lua Dang 等 6 位作者2013-03-25Advances in Natural Sciences Nanoscience and Nanotechnology

Nanoparticles (NPs) have been proven to be an effective delivery system with few side effects for anticancer drugs. In this study, curcumin-loaded NPs have been prepared by an ionic gelation method using chitosan (Chi) and pluronic ® F-127 (PF) as carriers to deliver curcumin to the target cancer cells. Prepared NPs w…

Nanoparticle-Based Drug DeliveryAdvanced Drug Delivery SystemsCurcumin's Biomedical Applications

Effect of Acetic Acid as Catalyst on the Properties of Epoxy Foam

Wan Nur Fadilla Wan Hamad、Pei Leng Teh、Cheow Keat Yeoh2013-03-25Polymer-Plastics Technology and Engineering

In this study, the effect of acetic acid used as catalyst in promoting the decomposition rate of blowing agent (sodium bicarbonate) in epoxy foam was done. Hard epoxy foam was produced using mechanical mixing technique. Epoxy foam has been tested with adding acetic acid at 5 phr and different content of sodium bicarbo…

Electrospun Nanofibers in Biomedical ApplicationsPolymer composites and self-healingPolymer Foaming and Composites

Surface Effects on Structural Phase Transformations in Nanosized Shape Memory Alloys

Zhen Zhang、Xiangdong Ding、Junkai Deng 等 8 位作者2013-03-25The Journal of Physical Chemistry C

We systematically investigated the role of surface on the B2–B19 transformation of free-standing nanoparticles by classical molecular dynamics simulations. It was found that the surface of particles has a shell structure with a thickness of 2 unit cells, suppressing the B2–B19 transformation locally. Below a critical…

High-pressure geophysics and materialsShape Memory Alloy TransformationsNonlinear Optical Materials Studies

Graphene as transparent electrode for direct observation of hole photoemission from silicon to oxide

Rusen Yan、Qin Zhang、Oleg A. Kirillov 等 13 位作者2013-03-25Applied Physics Letters

We demonstrate the application of graphene as collector material in internal photoemission (IPE) spectroscopy, which enables direct observation of both electron and hole injections at a Si/Al2O3 interface and overcomes the long-standing difficulty of detecting holes in IPE measurements. The observed electron and hole…

Graphene research and applicationsSemiconductor materials and devicesElectron and X-Ray Spectroscopy Techniques

Electronic structure of the hydrogen-adsorbed SrTiO 3 (001) surface studied by polarization-dependent photoemission spectroscopy

Ryu Yukawa、Susumu Yamamoto、K. Ozawa 等 8 位作者2013-03-25Physical Review B

The metallic band structure of the hydrogen-adsorbed SrTiO${}_{3}$(001) surface is studied by polarization-dependent photoemission spectroscopy measurements. With the dipole-transition selection arguments, we attributed the metallic peaks into the Ti 3${d}_{xz}$, 3${d}_{yz}$, and 3${d}_{xy}$ bands. These ${t}_{2g}$ ba…

Semiconductor materials and devicesMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Comparative study on flame, thermal, and mechanical properties of HDPE/clay nanocomposites with MPP or APP

Konrad Szustakiewicz、B. Cichy、Małgorzata Gazińska 等 4 位作者2013-03-25Journal of Reinforced Plastics and Composites

The article reports on flammability, thermal, and mechanical properties of bimodal high-density polyethylene/clay nanocomposites modified with ammonium polyphosphate or melamine polyphosphate (MPP) flame retardants. Two types of clays were used as fillers for the composites—the first one was standard montmorillonite m…

Polymer Nanocomposites and Propertiesbiodegradable polymer synthesis and propertiesFlame retardant materials and properties

Corrosion inhibition of type 430 stainless steel in an acidic solution using a synthesized tetra-pyridinium ring-containing compound

A. Y. Obaid、Aisha A. Ganash、Abdullah H. Qusti 等 5 位作者2013-03-25Arabian Journal of Chemistry

1,1′-Bis (1-methyl pyridinium-2-yl)-4,4′-dipyridinium dichloride di-iodide (TPy) and 1,1′-dimethyl-4,4′-dipyridinium di-iodide (DPy) have been synthesized and used as corrosion inhibitors for ferritic type 430 stainless steel in 0.5 M H2SO4 solution. Polarization, weight loss and scanning electron microscopic measurem…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability

In Situ Polymerization and Characterization of Aniline and O-Anthranilic Acid Copolymer/Pyrogenic Silica Nanocomposites

Ayman S. Al-Hussaini、M. Sh. Zoromba、N.A. El-Ghamaz2013-03-25Polymer-Plastics Technology and Engineering

Copolymers of aniline and o-anthranilic acid/amorphous fumed silica nanocomposite are synthesized by 5:1 molar ratios of the respective monomers with different percentages of silica nanoparticles via in situ chemical co-polymerization. The electrical conductivity and spectral characteristics upon incorporation of o-an…

Conducting polymers and applicationsAnalytical Chemistry and SensorsSynthesis and properties of polymers

Non-conducting interfaces of LaAlO3/SrTiO3 produced in sputter deposition: The role of stoichiometry

I.M. Dildar、D. B. Boltje、M. H. S. Hesselberth 等 7 位作者2013-03-25Applied Physics Letters

We have investigated the properties of interfaces between LaAlO3 films grown on SrTiO3 substrates singly terminated by TiO2. We used RF sputtering in a high-pressure oxygen atmosphere. The films are smooth, with flat surfaces. Transmission electron microscopy shows sharp and continuous interfaces with some slight inte…

Semiconductor materials and devicesMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

An Investigation on Dislocation Density in Cold-Rolled Copper Using Electrochemical Impedance Spectroscopy

Elyas Rafiee、Mansour Farzam、M.A. Golozar 等 4 位作者2013-03-25ISRN Corrosion

Variation of electrochemical impedance with dislocation density was investigated using electrochemical impedance spectroscopy (EIS). For this purpose, EIS measurements were carried out on 10, 20, 30, 40, and 50% cold-rolled commercially pure copper in 0.1 M NaCl (pH = 2) solution. Nyquist plots illustrated that the el…

Microstructure and mechanical propertiesCorrosion Behavior and InhibitionElectrodeposition and Electroless Coatings

Catalysis from A to Z

Cornils, Boy、Herrmann, Wolfgang A.、Schlögl, Robert 等 4 位作者2013-03-25OpenAlex

The updated fourth edition of this successful encyclopedia contains 40% more high-quality content from over 300 international experts in four volumes! Comprehensive, succinct, and unrivaled, it includes all the knowledge scientists need on homogeneous, heterogeneous and biochemical catalysis in easy-to-use, compact en…

Machine Learning in Materials Science

Mechanical testing of technical woven fabrics

Andrzej Ambroziak、Paweł Kłosowski2013-03-25Journal of Reinforced Plastics and Composites

This article presents a review of technical fabrics testing methods used by the authors on the basis of their experience with research on properties of polytetrefluoroethylene-coated fabrics used for Forest Opera in Sopot (Poland). First, the different types of testing methods used for description of mechanical proper…

Mechanical Behavior of CompositesTextile materials and evaluationsStructural Analysis of Composite Materials

Nanostructured oxide materials and modules for high-temperature power generation from waste heat

Ngo Van Nong、Nini Pryds2013-03-25Advances in Natural Sciences Nanoscience and Nanotechnology

A large amount of thermal energy emitted from many industrial processes is available as waste heat. Thermoelectric (TE) power generators that convert heat directly into electricity can offer a very promising means of waste heat recovery. However, the requirements for this task place in the materials are not easily sat…

Advanced Thermoelectric Materials and DevicesTransition Metal Oxide NanomaterialsThermal Expansion and Ionic Conductivity

Interstratification Patterns from the pH-Dependent Intercalation of a Tetracycline Antibiotic within Montmorillonite Layers

Ludmilla Aristilde、Bruno Lanson、Laurent Charlet2013-03-25Langmuir

Little is known about the distribution of the intercalated molecules within the interstratified layers resulting from the pH-dependent interlayer adsorption of ionizable organic molecules, including antibiotics, within smectite-type clay minerals. Here we employed experimental and simulated X-ray diffraction (XRD) to…

Soil and Unsaturated FlowClay minerals and soil interactionsIron oxide chemistry and applications

Ultra-shallow junctions formed using microwave annealing

Peng Xu、Chaochao Fu、Cheng Hu 等 9 位作者2013-03-25Applied Physics Letters

Microwave annealing is shown to be viable for achieving low thermal budget formation of ultra-shallow junctions. Regrowth of a 10 nm thick amorphous Si layer that is generated during a Ge amorphization process prior to BF2 or As dopant implantation proceeds at rates up to 0.53 nm/min for BF2 and up to 0.33 nm/min for…

Semiconductor materials and devicesPhase-change materials and chalcogenidesSemiconductor materials and interfaces

Solubilities of Adipic Acid in Acetic Acid + Water Mixtures and Acetic Acid + Cyclohexane Mixtures

Binwei Shen、Qinbo Wang、Yu‐Fang Wang 等 6 位作者2013-03-25Journal of Chemical & Engineering Data

The solubilities of adipic acid in acetic acid + water mixtures at (303.2 to 333.2) K and acetic acid + cyclohexane mixtures at (303.2 to 343.2) K are measured. The measured solubility of adipic acid in acetic acid + cyclohexane mixtures with the mass fraction of acetic acid in the solvent mixtures at (0.1 to 1.0) dec…

Crystallization and Solubility StudiesChemical and Physical Properties in Aqueous SolutionsPharmacological Effects of Natural Compounds

Influence of Accelerated Weathering on the Properties of Polypropylene/Polylactic Acid/Eucalyptus Wood Composites

Raluca Nicoleta Darie-Niță、Ruxandra Bodirlau、Carmen Alice Teacă 等 6 位作者2013-03-25International Journal of Polymer Analysis and Characterization

In the view of producing environmentally friendly materials without compromising properties, new composites containing polypropylene as a matrix and eucalyptus wood, with or without 15% of polylactic acid, were melt processed. In order to improve compatibility between components, a chemical modification of wood with t…

Wood Treatment and PropertiesNatural Fiber Reinforced CompositesAdvanced Cellulose Research Studies

Biosynthesis of poly-β-hydroxybutyrate (PHB) with a high molecular mass by a mutant strain of Azotobacter vinelandii (OPN)

Carlos Peña、Silvia López、Andrés del Campo García 等 6 位作者2013-03-25Annals of Microbiology

The aim of this study was to characterize the influence of the aeration conditions on the production of PHB and its molecular mass in a mutant strain of Azotobacter vinelandii (OPN), which carries a mutation on ptsN , the gene encoding enzyme IIA Ntr , previously shown to increase the accumulation of PHB. Cultures of…

Enzyme Catalysis and Immobilizationbiodegradable polymer synthesis and propertiesBiopolymer Synthesis and Applications