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Density Functional Theory Study of Nitrous Oxide Decomposition over Fe- and Co-ZSM-5

Jason A. Ryder、Arup K. Chakraborty、Alexis T. Bell2002-06-18The Journal of Physical Chemistry B

Iron- and cobalt-exchanged ZSM-5 are active catalysts for the dissociation of nitrous oxide. In this study, density functional theory was used to assess a possible reaction pathway for the catalytic dissociation of N 2 O. The active center was taken to be mononuclear [FeO] + or [CoO] +, and the surrounding portion of…

Catalysis and Hydrodesulfurization StudiesZeolite Catalysis and SynthesisCatalytic Processes in Materials Science

Synthesis of Exfoliated Polyacrylonitrile/Na−MMT Nanocomposites via Emulsion Polymerization

Yeong Suk Choi、Ki Hyun Wang、Mingzhe Xu 等 4 位作者2002-06-18Chemistry of Materials

Polyacrylonitrile/Na−MMT nanocomposites were synthesized through an emulsion polymerization of acrylonitrile (AN) using 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS). The silicate (Na−MMT) layers were exfoliated during polymerization. The nanocomposites were exfoliated up to 20 wt % content of pristine Na−MMT re…

Advanced Battery Materials and TechnologiesPolymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and Irradiation

The large capacity for dark nitrate‐assimilation in diatoms may overcome nitrate limitation of growth

Darren R. Clark、Kevin J. Flynn、Nick Owens2002-06-18New Phytologist

• The ability of the diatom Thalassiosira weissflogii to assimilate inorganic N in darkness is compared with that seen in flagellates. • Experiments were conducted with T. weissflogii grown in N-replete and in N-limiting cultures and the rates and capacity for ammonium and nitrate assimilation were determined. • High…

Aquatic Ecosystems and Phytoplankton DynamicsMarine and coastal ecosystemsDiatoms and Algae Research

Reinforcement of natural rubber

Liliane Bokobza、Olivier Rapoport2002-06-18Journal of Applied Polymer Science

Abstract In this article, we report on recent investigations on filled natural rubber. These investigations include a mechanical characterization as well as a molecular analysis based on measurements of chain orientation. It is demonstrated that at intermediate strains, the increase in the moduli can be explained by t…

Elasticity and Material ModelingPolymer Nanocomposites and PropertiesPolymer crystallization and properties

Toward Encoding Combinatorial Libraries: Charge-Driven Microencapsulation of Semiconductor Nanocrystals Luminescing in the Visible and Near IR

Nikolai Gaponik、Igor L. Radtchenko、Gleb B. Sukhorukov 等 5 位作者2002-06-18Advanced Materials

Charge-driven microencapsulation of water-soluble CdTe nanocrystals has been used to create both single-color tagged microspheres (see Figure) and multicolored beads with controlled emission intensity ratios. The concept is based on the pumping of negatively charged species into the interior of specially designed micr…

Quantum Dots Synthesis And PropertiesNanocluster Synthesis and ApplicationsLuminescence and Fluorescent Materials

Controlled Electrodeposition of Nanoparticulate Tungsten Oxide

Sung‐Hyeon Baeck、Thomas F. Jaramillo、Galen D. Stucky 等 4 位作者2002-06-18Nano Letters

Nanoparticulate tungsten oxide films were synthesized by pulsed electrodeposition. Particle sizes between 45 and ∼330 nm were achieved by varying pulse duration from 5 to 500 ms. Shorter pulses increased the rate of new particle nucleation above the rate of existing particle growth, allowing for the observed variation…

Transition Metal Oxide NanomaterialsElectrocatalysts for Energy ConversionElectronic and Structural Properties of Oxides

Temperature dependent photoluminescence of organic semiconductors with varying backbone conformation

S. Guha、J. D. Rice、Y. T. Yau 等 9 位作者2002-06-18arXiv

We present photoluminescence studies as a function of temperature from a series of conjugated polymers and a conjugated molecule with distinctly different backbone conformations. The organic materials investigated here are: planar methylated ladder type poly para-phenylene, semi-planar polyfluorene, and non-planar par…

Materials ScienceSoft Condensed Matter

The 3d-to-4s-by-2p highway to superconductivity in cuprates

T. M. Mishonov、J. O. Indekeu、E. S. Penev2002-06-18arXiv

High-temperature superconductors are nowadays found in great variety and hold technological promise. It is still an unsolved mystery that the critical temperature T_c of the basic cuprates is so high. The answer might well be hidden in a conventional corner of theoretical physics, overlooked in the recent hunt for exo…

Materials ScienceSuperconductivity

Strain Response from Polypyrrole Actuators under Load

Geoffrey M. Spinks、L. Liu、Gordon G. Wallace 等 4 位作者2002-06-18Advanced Functional Materials

The strain generated by an actuator material when subjected to an external force is a key performance parameter. However, very little is known about the performance of polymer actuator materials when subjected to external loads. Increasing external loads were applied to polypyrrole films and the actuator response was…

Conducting polymers and applicationsAdvanced Sensor and Energy Harvesting MaterialsAnalytical Chemistry and Sensors

Spectral properties of the Holstein double-exchange model and application to manganites

M. Hohenadler、D. M. Edwards2002-06-18arXiv

Calculations of one-electron spectral functions, optical conductivity and spin-wave energy in the Holstein double-exchange model are made using the many-body coherent potential approximation. Satisfactory agreement is obtained with angle-resolved photoemission results on La_1.2Sr_1.8Mn_2O_7 and optical measurements on…

Materials ScienceStrongly Correlated Electrons

Spin injection in the non-linear regime: band bending effects

G. Schmidt、C. Gould、P. Grabs 等 7 位作者2002-06-18arXiv

Semiconductor spintronics will need to control spin injection phenomena in the non-linear regime. In order to study these effects we have performed spin injection measurements from a dilute magnetic semiconductor [(Zn,Be,Mn)Se] into nonmagnetic (Zn,Be)Se at elevated bias. When the applied voltage is increased to a few…

Mesoscale and Nanoscale PhysicsMaterials Science

Layered Paving of Vesicular Nanoparticles Formed with Cerasome as a Bioinspired Organic−Inorganic Hybrid

Kiyofumi Katagiri、Ryo Hamasaki、Katsuhiko Ariga 等 4 位作者2002-06-18Journal of the American Chemical Society

A three-dimensional packed vesicular assembly was successfully prepared by using an organic-inorganic hybrid, the Cerasome. This assembly was achieved by using an alternate layer-by-layer adsorption technique with the anionic and the cationic Cerasome derived from corresponding organoalkoxysilane amphiphiles. Adsorpti…

Supramolecular Self-Assembly in MaterialsPolymer Surface Interaction StudiesPickering emulsions and particle stabilization

Quenching of Growth of ZnO Nanoparticles by Adsorption of Octanethiol

Noshir S. Pesika、Zeshan Hu、Kathleen J. Stebe 等 4 位作者2002-06-18The Journal of Physical Chemistry B

To exploit the size dependent properties of nanoparticles, it is essential to control the particle size. We show that injection of octanethiol into suspensions of ZnO particles can be used to quench particle growth. X-ray photoelectron spectroscopy studies of the adsorption of octanethiol on ZnO single crystals indica…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Zeolitic Tissue Through Wood Cell Templating

Angang Dong、Yajun Wang、Yan Tang 等 7 位作者2002-06-18Advanced Materials

Zeolitic wood structures made by a seeded templating process offer new ways of investigating the complex wood morphology. The technique can also be used to create hierarchical porous zeolitic materials (see Figure). The seeded growth strategy shows potential for the extension to any organisms with hierarchical structu…

Pleistocene-Era Hominins and ArchaeologyAdvanced Cellulose Research Studies

Self-Assembly of Carbon Nanotubes

H. Shimoda、Soo‐Jin Oh、Huiling Geng 等 7 位作者2002-06-18Advanced Materials

Films of single-walled carbon nanotubes have been obtained by simple evaporation of suspended nanotubes on a glass substrate. The technique has also been used to create patterned structures (see Figure) by treating the substrate before evaporation and thus creating hydrophobic and hydrophilic areas. The films showed o…

Porphyrin and Phthalocyanine ChemistryMechanical and Optical ResonatorsCarbon Nanotubes in Composites

Novel Bisthienylethene-Based Photochromic Tetraazaporphyrin with Photoregulating Luminescence

He Tian、Binbin Chen、Haiyang Tu 等 4 位作者2002-06-18OpenAlex

A “hybrid photochromic” molecule with intertwined tetraazaporphyrin and bisthienylethene (BTE) chromophores is presented. The key photo-process is the simultaneous cyclization of two BTE units (yielding the molecule shown in the Figure) with high quantum yield at RT, and with a strongly temperature-dependent yield for…

Photochromic and Fluorescence ChemistryPorphyrin and Phthalocyanine ChemistryOxidative Organic Chemistry Reactions

Calcium Carbonate–Organic Hybrid Materials

Takashi Kato、Ayae Sugawara‐Narutaki、N. Hosoda2002-06-18OpenAlex

This article focuses on the synthetic approach to the preparation of calcium carbonate–organic hybrid materials, which are obtained by self-organization processes under mild conditions. In these processes, organic molecules such as functionalized polymers and aligned amphiphilic molecules on the surface play key roles…

Calcium Carbonate Crystallization and InhibitionEndodontics and Root Canal Treatments

Hall conductivity of a two-dimensional graphite system

Yisong Zheng、Tsuneya Ando2002-06-18OpenAlex

Within a self-consistent Born approximation, the Hall conductivity of a two-dimensional graphite system in the presence of a magnetic field is studied by quantum transport theory. The Hall conductivity is calculated for short- and long-range scatterers. It is calculated analytically in the limit of strong magnetic fie…

Thermal properties of materialsCarbon Nanotubes in CompositesGraphene research and applications

Structure and Phase Stability of Binary Zintl-Phase Compounds: Lithium–Group 13 Intermetallics and Metal-Doped Group 14 Clathrate Compounds

A. Ker、Evgeny Todorov、Roger Rousseau 等 6 位作者2002-06-17Chemistry - A European Journal

The structure/bonding relationship in a series of intermetallic phases of Li with Al, Ga, and In was investigated by density functional theory and complemented by a model based on tight-binding theory and the method of moments. The combination of these two approaches provides a simple scheme which allows for both a co…

Thermal Expansion and Ionic ConductivityAdvanced Thermoelectric Materials and DevicesIntermetallics and Advanced Alloy Properties

Thermal analysis and X‐ray scattering study of metallocene isotactic polypropylene prepared by partial melting

Patrick S. Dai、Peggy Cebe、Malcolm Capel2002-06-17Journal of Polymer Science Part B Polymer Physics

Abstract In this study, we examine the effects of heating, nucleation, cooling, and reheating on the thermal properties and structure of metallocene isotactic polypropylene (m‐iPP) that had been prepared initially in a standard state containing nearly equal amounts of the crystallographic α and γ phases. Heat treatmen…

biodegradable polymer synthesis and propertiesPolymer Nanocomposites and PropertiesPolymer crystallization and properties