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Combining Theory and Experiment in Determining the Surface Chemistry of Nanocrystals

Amanda S. Barnard、Angus I. Kirkland2008-08-14Chemistry of Materials

The development of future generation catalysts and fuel cells based on oxide nanostructures is dependent upon our ability to control the size, shape, and surface chemistry of individual particles. It is currently not possible to characterize the surface of substantial numbers of oxide nanocrystals within large scale s…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsMachine Learning in Materials Science

Reversible Metal−Insulator Transitions in Metallic Single-Walled Carbon Nanotubes

Christoph Marquardt、Simone Dehm、Aravind Vijayaraghavan 等 6 位作者2008-08-14Nano Letters

We report on reversible metal to insulator transitions in metallic single-walled carbon nanotube devices induced by repeated electron irradiation of a nanotube segment. The transition from a low-resistive, metallic state to a high-resistive, insulating state by 3 orders of magnitude was monitored by electron transport…

Carbon Nanotubes in CompositesAdvanced Electron Microscopy Techniques and ApplicationsIon-surface interactions and analysis

Self‐Assembled Au Nanoparticles as Substrates for Surface‐Enhanced Vibrational Spectroscopy: Optimization and Electrochemical Stability

Meikun Fan、Alexandre G. Brolo2008-08-14ChemPhysChem

Three-dimensional nanostructured metallic substrates for enhanced vibrational spectroscopy are fabricated by self-assembly. Nanostructures consisting of one to 20 depositions of 13 nm-diameter Au nanoparticles (NPs) on Au films are prepared and characterized by means of AFM and UV/Vis reflection-absorption spectroscop…

Gold and Silver Nanoparticles Synthesis and ApplicationsSpectroscopy and Quantum Chemical StudiesSpectroscopy Techniques in Biomedical and Chemical Research

Preparation and Characterization of Potato Starch Based Low Density Polyethylene/Low Density Polyethylene Grafted Maleic Anhydride Biodegradable Polymer Composite

Aditya Gupta、Manjari Sharma、Manish Kumar2008-08-14Polymer-Plastics Technology and Engineering

Polysaccharide-filled plastics have attracted immense interest from research scientists as a means to develop a biodisintegrable polymer. The objective of the present study is to develop a biodisintegrable polymer composite using potato starch, which may be a step toward an alternative user friendly polymer composite.…

Nanocomposite Films for Food Packagingbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Theoretical analysis of vibrational spectra and scaling‐factor of 2‐aryl‐1,3,4‐oxadiazole derivatives

Davut Avcı、Yusuf Atalay2008-08-14International Journal of Quantum Chemistry

Abstract In this study, the direct molecular structure implementations for calculating vibrational spectra and scaling factors, and infrared intensities at both the Hartree–Fock (HF) and density functional (B3LYP) levels of theory with 6‐31G(d), 6‐311G(d), 6‐31++G(d,p), and 6‐311++G(d,p) basis sets are presented. Also…

Organic Light-Emitting Diodes ResearchNonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic Compounds

Ring Opening Polymerization of Lactide under Solvent‐Free Conditions Catalyzed by a Chlorotitanium Calix[4]arene Complex

Marco Frediani、David Sémeril、Alfredo Mariotti 等 8 位作者2008-08-14Macromolecular Rapid Communications

Abstract A novel chlorotitanium calix[4]arene complex was synthesized and tested, without activator, as catalyst for the polymerization of L ‐ and rac ‐lactide under solvent‐free conditions. The catalyst displayed high activity, which depended on the monomer‐to‐catalyst molar ratio, and led to highly isotactic PLLA. D…

Organometallic Complex Synthesis and Catalysisbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Directing Self-Assembly Toward Perfection

Rachel A. Segalman2008-08-14Science

A combination of self-assembled block copolymers with templated substrates can be used for precision lithographic applications.

Advanced Polymer Synthesis and CharacterizationAdvancements in Photolithography TechniquesBlock Copolymer Self-Assembly

Comparison of Co with Mn and Fe in LDH-hosted Sulfonato−Salen Catalysts for Olefin Epoxidation

Samiran Bhattacharjee、Trevor J. Dines、James A. Anderson2008-08-14The Journal of Physical Chemistry C

Sulphonato−salen complexes containing Mn(III), Co(III), and Fe(III) metal centers intercalated into Zn/Al layered double-hydroxide (LDH) host have been synthesized and tested as catalysts for the epoxidation of cyclohexene and dicyclopentadiene using pivaldehyde and molecular oxygen at atmospheric pressure and room te…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsLayered Double Hydroxides Synthesis and Applications

Theoretical Study on Second Hyperpolarizabilities of Singlet Diradical Square Planar Nickel Complexes Involving o-Semiquinonato Type Ligands

Hitoshi Fukui、Ryohei Kishi、Takuya Minami 等 11 位作者2008-08-14The Journal of Physical Chemistry A

Hybrid density functional theory method is applied for investigating the diradical character dependence of the second hyperpolarizability (gamma) of square planar nickel complexes involving several types of bidentate ligands [o-C6H4XY, where X = Y = O, NH, S, Se, and PH as well as (X, Y) = (NH, NH2) and (S, NH2)]. It…

Nonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsOrganic Chemistry Cycloaddition Reactions

Advances on Selective C-6 Oxidation of Chitosan by TEMPO

Nicolas Bordenave、Stéphane Grelier、Véronique Coma2008-08-14Biomacromolecules

The specific C-6 oxidation by TEMPO of chitosan and chitosan derivatives were studied to obtain tailored bioactive biopolymers. The modifications on chitosan presented many difficulties and showed the adverse effect of the amine moieties of chitosan on this reaction. Thus, protections of the amino groups by N-acetylat…

Nanocomposite Films for Food PackagingConducting polymers and applicationsbiodegradable polymer synthesis and properties

Band-Selective Optical Polarizer Based on Gold-Nanowire Plasmonic Diffraction Gratings

Xinping Zhang、Hongmei Liu、Jinrong Tian 等 5 位作者2008-08-14Nano Letters

We report a plasmonic diffraction grating device as a new kind of optical polarizer. This simple device consists of periodically distributed gold nanowires on top of a transparent glass substrate and is based on the strong polarization dependence of the particle plasmon resonance of the gold nanowires. A high-efficien…

Plasmonic and Surface Plasmon ResearchPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Modulation of Metal Displacements in a Saddle Distorted Macrocycle: Synthesis, Structure, and Properties of High-Spin Fe(III) Porphyrins and Implications for the Hemoproteins

Ranjan Patra、Arvind Chaudhary、Sudip Kumar Ghosh 等 4 位作者2008-08-14Inorganic Chemistry

A rare family of five and six-coordinated high-spin Fe(III) porphyrins incorporating weak axial ligands are synthesized and structurally characterized which demonstrate, for the first time, stepwise metal displacements in a single distorted macrocyclic environment that has generally been seen in many biological system…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsHemoglobin structure and function

Strong, Tough, Electrospun Polymer–Nanotube Composite Membranes with Extremely Low Density

David Blond、William Walshe、Karen Young 等 10 位作者2008-08-14Advanced Functional Materials

Abstract Electrospinning has been used to produce porous, low density, polymer–nanotube composite membranes. The membrane mechanical properties can be enhanced by tuning the nanotube content, aligning the fibers during spinning, and by post production drawing. The mechanical properties are maximized for membranes with…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Adiabatic temperature change at first-order magnetic phase transitions:Ni2.19Mn0.81Gaas a case study

Vladimir Khovaylo、Konstantin Skokov、Yu. S. Koshkid’ko 等 10 位作者2008-08-14Physical Review B

A comprehensive study of the adiabatic temperature change $\ensuremath{\Delta}{T}_{\text{ad}}$ in the vicinity of a first-order magnetostructural phase transition has been carried out on a ${\text{Ni}}_{2.19}{\text{Mn}}_{0.81}\text{Ga}$ Heusler alloy. It was found that the directly measured $\ensuremath{\Delta}{T}_{\t…

Magnetic and transport properties of perovskites and related materialsShape Memory Alloy TransformationsThermal Expansion and Ionic Conductivity

Relation between Glass Transition Temperatures in Polymer Nanocomposites and Polymer Thin Films

Jamie Michael Kropka、Victor Pryamitsyn、Venkat Ganesan2008-08-14Physical Review Letters

Motivated by recent experiments, we examine within a percolation model whether there is a quantitative equivalence in the glass transition temperatures of polymer thin films and polymer nanocomposites. Our results indicate that, while the qualitative behaviors of these systems are similar, a quantitative equivalence c…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Structural and electronic properties of PbSe nanocrystals from first principles

Alberto Franceschetti2008-08-14Physical Review B

This work reports density-functional calculations of the structural and electronic properties of PbSe nanocrystals ranging in radius from 8.4 to $14.8\text{ }\text{\AA{}}$. We considered nearly spherical, rocksalt-structure nanocrystals with 1:1 Pb:Se stoichiometry and no molecular species adsorbed at the surface. We…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Nanoparticulated Silicas with Bimodal Porosity: Chemical Control of the Pore Sizes

Jamal El Haskouri、José Manuel Morales、David Ortiz de Zárate 等 9 位作者2008-08-14Inorganic Chemistry

Nanoparticulated bimodal porous silicas (NBSs) with pore systems structured at two length scales (meso- and large-meso-/macropores) have been prepared through a one-pot surfactant-assisted procedure by using a simple template agent and starting from silicon atrane complexes as hydrolytic inorganic precursors. The fina…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsAerogels and thermal insulation

J- and H-Aggregates of 5,10,15,20-Tetrakis-(4-sulfonatophenyl)-porphyrin and Interconversion in PEG-b-P4VP Micelles

Lizhi Zhao、Rujiang Ma、Junbo Li 等 6 位作者2008-08-14Biomacromolecules

Micellization of poly(ethylene glycol)-block-poly(4-vinylpyridine) (PEG114-b-P4VP61) induced by 5,10,15,20-tetrakis-(4-sulfonatophenyl)-porphyrin (TPPS) in acidic solutions were studied by dynamic and static light scattering, atomic force microscope, and UV-vis spectroscopy. The resultant complex micelles had a core-s…

Supramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine ChemistryHemoglobin structure and function

Direct Measurement of the Wetting Behavior of Individual Carbon Nanotubes by Polymer Melts: The Key to Carbon Nanotube−Polymer Composites

Michael Q. Tran、João T. Cabral、Milo S. P. Shaffer 等 4 位作者2008-08-14Nano Letters

Carbon nanotube wetting is the critical parameter for the development of nanocomposites yet, due to the lack of suitable methods of qualifying and, more importantly, quantifying nanoscale wetting and adhesion phenomena, it is often overlooked. Here, we discuss a qualitative approach that provides wetting/nonwetting in…

Carbon Nanotubes in CompositesMicrofluidic and Capillary Electrophoresis ApplicationsNanopore and Nanochannel Transport Studies

Fabrication and optical properties of gold nanotube arrays

William Hendren、Antony Murphy、Paul G. Evans 等 8 位作者2008-08-14Journal of Physics Condensed Matter

Arrays of gold nanotubes with polypyrrole cores were grown on glass substrates by electrodeposition into thin film porous alumina templates. Measurements of optical transmission revealed strong extinction peaks related to plasmonic resonances, which were sensitive to the polarization state and angle of incidence. On p…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchNanofabrication and Lithography Techniques