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Structures and Considerable Static First Hyperpolarizabilities: New Organic Alkalides (M+@n6adz)M‘- (M, M‘ = Li, Na, K; n = 2, 3) with Cation Inside and Anion Outside of the Cage Complexants

Fang-Fang Wang、Zhi‐Ru Li、Di Wu 等 10 位作者2008-01-01The Journal of Physical Chemistry B

Eighteen structures of new organic alkalides (M+@n6adz)M'- (M, M'=Li, Na, K; n=2, 3) with the alkali-metal cation M+ lying near the center of the adz cage and the alkali-metal anion M'- located outside are obtained with all real frequencies. They exhibit very large static first hyperpolarizabilities (beta0) up to 3.2x…

Magnetism in coordination complexesNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic Compounds

β-Diketiminate aluminium complexes: synthesis, characterization and ring-opening polymerization of cyclic esters

Shaogang Gong、Haiyan Ma2008-01-01Dalton Transactions

A series of aluminium alkyl complexes (BDI)AlEt(2) (3a-m) bearing symmetrical or unsymmetrical beta-diketiminate ligand (BDI) frameworks were obtained from the reaction of triethyl aluminium and the corresponding beta-diketimine. The monomeric structure of the aluminium complex 3k was confirmed by an X-ray diffraction…

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

Gold microcrystal synthesis via reduction of HAuCl4 by cellulose in the ionic liquid 1-butyl-3-methyl imidazolium chloride

Zhonghao Li、Alwin Friedrich、Andreas Taubert2008-01-01Journal of Materials Chemistry

The formation of gold particles in the ionic liquid 1-butyl-3-methylimidazolium chloride in the presence of cellulose has been studied. In this reaction, cellulose is the reducing agent for the Au(III)–Au(0) reduction. At the same time, cellulose is a (moderately efficient) template for the formation of various gold p…

Nanoparticles: synthesis and applicationsAdvanced Cellulose Research StudiesNanomaterials for catalytic reactions

Correlations between structure, material properties and bioproperties in self-assembled β-hairpin peptide hydrogels

Rohan A. Hule、Radhika P. Nagarkar、Ayşegül Altunbaş 等 7 位作者2008-01-01Faraday Discussions

A de novo designed beta-hairpin peptide (MAX8), capable of undergoing intramolecular folding and consequent intermolecular self-assembly into a cytocompatible hydrogel, has been studied. A combination of small angle neutron scattering (SANS) and cryogenic-transmission electron microscopy (cryo-TEM) have been used to q…

Hydrogels: synthesis, properties, applicationsGlycosylation and Glycoproteins ResearchSupramolecular Self-Assembly in Materials

Dealloying Silver/Gold Alloys in Neutral Silver Nitrate Solution: Porosity Evolution, Surface Composition, and Surface Oxides

Joshua Snyder、Kenneth J. T. Livi、Jonah Erlebacher2008-01-01Journal of The Electrochemical Society

The electrochemistry of dealloying silver/gold alloys in neutral pH silver nitrate solution to form nanoporous gold (NPG) is discussed. At pH 7, porosity evolution was observed to occur at high potentials, above that required for oxygen evolution, and within the nominal domain of the Pourbaix diagram where silver woul…

Electrocatalysts for Energy ConversionCopper-based nanomaterials and applicationsNanoporous metals and alloys

The Effect of Ca, Sr, and Ba Doping on the Ionic Conductivity and Cathode Performance of LaFeO[sub 3]

F. Bidrawn、S. Lee、John M. Vohs 等 4 位作者2008-01-01Journal of The Electrochemical Society

The influence of ionic conductivity on the performance of solid oxide fuel cell cathodes was studied for electrodes prepared by infiltration of (LCF), (LSF), and (LBF) into 65% porous yttria-stabilized zirconia (YSZ). The ionic conductivities of LCF, LSF, and LBF, measured between 923 and using permeation rates in a m…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Photoelectron imaging of negative ions

Andrei Sanov、Richard Mabbs2008-01-01International Reviews in Physical Chemistry

This article provides an overview of some of the recent advances in the rapidly growing field of negative-ion photoelectron imaging spectroscopy. Setting the work that spans several projects in the authors’ laboratory in broader context, three types of measurements are described. First are the ‘static’ (one-photon) ph…

Mass Spectrometry Techniques and ApplicationsElectron and X-Ray Spectroscopy TechniquesIon-surface interactions and analysis

Density functional studies of model cerium oxide nanoparticles

Christoph Loschen、Annapaola Migani、Stefan T. Bromley 等 5 位作者2008-01-01Physical Chemistry Chemical Physics

Density functional plane-wave calculations have been performed to investigate a series of ceria nanoparticles (CeO2-x)(n), n <or= 85. Strong correlation effects of the Ce f-electron introduced upon Ce4+ --> Ce3+ reduction have been accounted for through the use of an effective on-site Coulomb repulsive interaction wit…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Refractive index engineering of transparent ZrO2–polydimethylsiloxane nanocomposites

Sangkyu Lee、Hyeon‐Jin Shin、Seon-Mi Yoon 等 6 位作者2008-01-01Journal of Materials Chemistry

Transparent ZrO2–polydimethylsiloxane (PDMS) nanocomposites with high refractive index were prepared by dispersing ZrO2nanoparticles in a PDMS matrix via ligand molecule engineering. The ligand molecule consists of a diamine head group that adsorbs strongly onto the ZrO2nanoparticles, and a siloxane tail group with a…

Photonic Crystals and ApplicationsAnalytical Chemistry and SensorsSilicone and Siloxane Chemistry

Oxidation investigation of nickel nanoparticles

Pengxiang Song、Dongsheng Wen、Zhengxiao Guo 等 4 位作者2008-01-01Physical Chemistry Chemical Physics

This work reported an experimental investigation of complete oxidation of nickel nanoparticles using simultaneous thermogravimetry analysis (TGA) and differential scanning calorimetry (DSC). Nickel nanoparticles and their elemental compositions were characterized by Brunauer-Emmett-Teller (BET) analysis, transmission…

Nanoparticles: synthesis and applicationsEnergetic Materials and CombustionThermal and Kinetic Analysis

Exceptionally high CO2 storage in covalent-organic frameworks: Atomistic simulation study

Ravichandar Babarao、Jianwen Jiang2008-01-01Energy & Environmental Science

Atomistic simulations have been performed on CO2storage in covalent-organic frameworks (COFs) including 3D (COF-102, COF-103, COF-105, and COF-108), 2D (COF-6, COF-8, COF-10) and 1D (COF_NT) structures. Compared to 2D and 1D COFs, 3D COFs have substantially larger free volume, porosity and surface area. As a counterba…

Metal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesCovalent Organic Framework Applications

Electronic structure of boron-doped diamond with B–H complex and B pair

Tamio Oguchi2008-01-01Science and Technology of Advanced Materials

The electronic structure of boron–hydrogen complex and boron pair in diamond are studied by first-principles density-functional calculations with supercell models. The electronic structure calculated for the B–H complexes with C2v or C3v symmetry and the nearest-neighbor B pair is used to interpret recent experimental…

A 3D tomographic EBSD analysis of a CVD diamond thin film

Tao Liu, Dierk Raabe and Stefan Zaefferer2008-01-01Science and Technology of Advanced Materials

We have studied the nucleation and growth processes in a chemical vapor deposition (CVD) diamond film using a tomographic electron backscattering diffraction method (3D EBSD). The approach is based on the combination of a focused ion beam (FIB) unit for serial sectioning in conjunction with high-resolution EBSD. Indiv…

Corrosion behavior of metals and alloys in marine-industrial environment

Mariappan Natesan, Subbiah Selvaraj, Tharmakkannu Manickam and Gopalachari Venkatachari2008-01-01Science and Technology of Advanced Materials

This work deals with atmospheric corrosion to assess the degrading effects of air pollutants on ferrous and non-ferrous metals and alloys, which are mostly used as engineering materials. An exposure study was conducted in the Tuticorin port area located on the east coast of South India, in the Gulf of Mannar with Sri…

Investigation of the liquid crystal alignment layer: effect on electrical properties

Asma Abderrahmen et al2008-01-01Science and Technology of Advanced Materials

We investigate the electrical behavior of a symmetric liquid crystal (LC) cell: elecrode-silane-LC-silane-electrode. The silane (chlorodimethyloctadecyl-silane) layer induces a homeotropic orientation of the nematic liquid crystal (NLC) molecules. The wettability technique is used to detect the change of the surface e…

Magnetic orientation of single-walled carbon nanotubes or their composites using polymer wrapping

Hiroaki Yonemura et al2008-01-01Science and Technology of Advanced Materials

The magnetic orientation of single-walled carbon nanotubes (SWNTs) or the SWNT composites wrapped with polymer using poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylene vinylene] (MEHPPV) as the conducting polymer were examined. The formation of SWNT/MEHPPV composites was confirmed by examining absorption and fluorescen…

Unconventional pairing in doped band insulators on a honeycomb lattice: the role of the disconnected Fermi surface and a possible application to superconducting β-MNCl (M=Hf, Zr)

Kazuhiko Kuroki2008-01-01Science and Technology of Advanced Materials

We investigate the possibility of realizing unconventional superconductivity in doped band insulators on the square and honeycomb lattices. The latter lattice is found to be a good candidate due to the disconnectivity of the Fermi surface. We propose applying the theory to the superconductivity in doped layered nitrid…

Degradation behavior of polymer blend of isotactic polypropylenes with and without unsaturated chain end group

Hisayuki Nakatani et al2008-01-01Science and Technology of Advanced Materials

In this work, the relationship between the unsaturated chain end group content and the thermal oxidative degradation rate was systematically studied with binary polymer blends of isotactic polypropylene (iPP) with and without the unsaturated chain end group. The iPPs with and without the unsaturated chain end group we…

TOPICAL REVIEW Textured silicon nitride: processing and anisotropic properties

Xinwen Zhu and Yoshio Sakka2008-01-01Science and Technology of Advanced Materials

Textured silicon nitride (Si3N4) has been intensively studied over the past 15 years because of its use for achieving its superthermal and mechanical properties. In this review we present the fundamental aspects of the processing and anisotropic properties of textured Si3N4, with emphasis on the anisotropic and abnorm…

Effects of various poisoning compounds on the activity and stereospecificity of heterogeneous Ziegler–Natta catalyst

Kitti Tangjituabun et al2008-01-01Science and Technology of Advanced Materials

A TiCl4/ethylbenzoate/MgCl2 Ziegler–Natta catalyst was pretreated with chemically different poisoning compounds to investigate their effects on the catalyst activity and stereospecificity for propylene polymerization. The poisoning power on the activity was in the order of methanol > acetone > ethyl acetate. A kinetic…