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Alkali-metal ion in rare gas clusters: global minima

G. Bilalbegovic2002-12-08arXiv

Structural optimization for heteronuclear clusters consisting of one alkali-metal ion and of up to 79 neutral rare gas atoms has been carried out. The basin-hopping Monte Carlo minimization method of Wales and Doye is used. Rare gas atoms interact with the Lennard-Jones potential, whereas the interaction between a neu…

Materials Sciencephysics.atm-clus

First-Principles Characterization of NOx Adsorption on MgO

Marina Miletic、John L. Gland、K. C. Hass 等 4 位作者2002-12-07The Journal of Physical Chemistry B

Alkaline earth oxides are leading candidates as NO x ( x = 1, 2) sorbents; however, the understanding of adsorption and reaction of NO x on these surfaces is currently limited. In this paper, Mg(001) terrace cluster models and density functional theory (DFT) are used to characterize the adsorption properties of neutra…

Catalytic Processes in Materials ScienceIndustrial Gas Emission ControlInorganic Fluorides and Related Compounds

Role of Hydrogen-Spillover in H 2 −NO Reaction over Pd-Supported NO x -Adsorbing Material, MnO x −CeO 2

Masato Machida、Daisuke Kurogi、Toshiki Kijima2002-12-07The Journal of Physical Chemistry B

The reactivity of NO x -adsorbing material, MnO x −CeO 2, toward H 2 has been studied in the presence of impregnated Pd catalysts by the use of micropulse reactions, in situ DRIFT spectroscopy, and chemisorption experiments. It was found that NO x adsorbed on Pd/MnO x −CeO 2 can be largely removed by micropulse H 2 in…

Catalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionIndustrial Gas Emission Control

Thermal Hazard Analysis of Methyl Ethyl Ketone Peroxide

Po-Yin Yeh、Chi‐Min Shu、Yih‐Shing Duh2002-12-07Industrial & Engineering Chemistry Research

In the past 4 decades in Japan and Taiwan, many thermal explosions have been caused by methyl ethyl ketone peroxide (MEKPO) subjected to external heating including fire. Thermograms of commercialized MEKPO dimers were first screened by differential scanning calorimetry (DSC) to determine the heat of decomposition and…

Energetic Materials and CombustionRisk and Safety AnalysisThermal and Kinetic Analysis

Self-Assembled Supramolecular M9 (Mn(II), Fe(III), Zn(II)), M5 (Fe(III)), and [M3]2 (Pb(II)) Complexes: Structural, Magnetic, and Mössbauer Properties

Laurence K. Thompson、Liang Zhao、Zhiqiang Xu 等 5 位作者2002-12-07Inorganic Chemistry

The tritopic ligand 2poap self-assembles in the presence of Zn(NO(3))(2) and Fe(NO(3))(3) to form homoleptic [3 x 3] nonanuclear M(9) (M = Zn(II), Fe(III)) square grid structures and with Pb(ClO(4))(2) to form a dimerized linear trinuclear [Pb(3)](2) structure. Cl2poap and Cl2poapz form self-assembled homoleptic [3 x…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications

Effect of Additives on the Crystallization of Lysozyme and Chymotrypsinogen A

Jie Lü、Xiujuan Wang、Chi‐Bun Ching2002-12-07Crystal Growth & Design

We report the effect of some electrolyte and nonelectrolyte additives on the crystallization of lysozyme and chymotrypsinogen A. In particular, the influence of glycerol and dimethyl sulfoxide on protein's solubility and the critical supersaturation for explosive nucleation has been studied. The two additives are foun…

Protein Structure and DynamicsEnzyme Structure and FunctionCrystallization and Solubility Studies

Influence of Quenching Treatments on Structure and Conductivity of the Li3xLa2/3-xTiO3 Series

A. Várez、J. Ibarra、A. Rivera 等 8 位作者2002-12-07Chemistry of Materials

The effect of high-temperature treatments on the structure and lithium mobility of the Li 3 x La 2/3 - x TiO 3 (0.03 ≤ x ≤ 0.167) series has been studied by HTXRD, Raman, NMR, and impedance spectroscopies. Room temperature XRD patterns of slowly cooled samples display a c -doubled perovskite with orthorhombic or tetra…

Advancements in Battery MaterialsFerroelectric and Piezoelectric MaterialsAdvanced Battery Materials and Technologies

Design of Novel Inorganic−Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests

Kunimitsu Nagayoshi、Md.K. Kabir、Hiroshi Tobita 等 14 位作者2002-12-07Journal of the American Chemical Society

Novel intercalation compounds constructed from the common two-dimensional hydrogen-bond-supported layers and functional guests [(H(0.5)phz)(2)[Fe(CA)(2)(H(2)O)(2)].2H(2)O](n)(1), ([Fe(Cp)(2)][Fe(CA)(2)(H(2)O)(2)])(n)(2), ([Fe(Cp*)(2)][Fe(CA)(2)(H(2)O)(2)])(n)(3), and [(TTF)(2)[Fe(CA)(2)(H(2)O)(2)]](n)(4) (H(2)CA = chl…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLayered Double Hydroxides Synthesis and Applications

Synthesis of Free-Standing Quasi-Two-Dimensional Polymers

Abraham D. Stroock、Ravindra S. Kane、Marcus Weck 等 5 位作者2002-12-07Langmuir

This paper describes a synthesis of free-standing, 10−15-nm-thick polymer films of well-defined lateral size and shape. The three key elements of this procedure are (1) formation by microcontact printing (μCP) of a patterned, self-assembled monolayer (SAM) with hydrophobic regions (alkane-terminated) and adsorption-re…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresNanofabrication and Lithography Techniques

Highly Oriented Gold Nanoribbons by the Reduction of Aqueous Chloroaurate Ions by Hexadecylaniline Langmuir Monolayers

Anita Swami、Ashavani Kumar、PR. Selvakannan 等 6 位作者2002-12-07Chemistry of Materials

The one-step electrostatic complexation, reduction of aqueous chloroaurate ions and capping of the gold nanoparticles thus formed by hexadecylaniline Langmuir monolayers, is described. This process leads to the formation of highly oriented gold nanoribbons strongly bound to the Langmuir monolayer (images alongside) th…

Gold and Silver Nanoparticles Synthesis and ApplicationsElectrochemical Analysis and ApplicationsNanocluster Synthesis and Applications

Synthesis and Characterization of CdS Nanorods via Hydrothermal Microemulsion

Peng Zhang、Lian Gao2002-12-07Langmuir

ADVERTISEMENT RETURN TO ISSUEPREVNoteSynthesis and Characterization of CdS Nanorods via Hydrothermal MicroemulsionPeng Zhang and Lian GaoView Author Information State Key Lab of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, People'…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNanowire Synthesis and Applications

Novel Lanthanide Luminescent Materials Based on Complexes of 3-Hydroxypicolinic Acid and Silica Nanoparticles

P.C.R. Soares-Santos、Helena I. S. Nogueira、Vı́tor Félix 等 7 位作者2002-12-07Chemistry of Materials

New lanthanide complexes of 3-hydroxypicolinic acid (HpicOH) were prepared: [Ln(H 2 O)(picOH) 2 (μ-HpicO)]·3H 2 O (Ln = Eu, Tb, Er). The complexes were characterized using photoluminescence, infrared, Raman, and 1 H NMR spectroscopy, and elemental analysis. The crystal structure of [Eu(H 2 O)(picOH) 2 (μ-HpicO)]·3H 2…

Luminescence Properties of Advanced MaterialsLanthanide and Transition Metal ComplexesPolyoxometalates: Synthesis and Applications

A novel nanostructure of nickel nanotubes encapsulated in carbon nanotubes

Jianchun Bao、Keyu Wang、Zheng Xu 等 5 位作者2002-12-06Chemical Communications

A novel nanostructure of Ni nanotubes encapsulated in carbon nanotubes has been obtained via the pyrolysis of C2H2 on an array of Ni nanotubes in an alumina membrane support and a possible mechanism has been proposed.

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Boron, Aluminum, and Gallium Silsesquioxane Compounds, Homogeneous Models for Group 13 Element-Containing Silicates and Zeolites

Gijsbert Gerritsen、Robbert Duchateau、Rutger A. van Santen 等 4 位作者2002-12-06Organometallics

The incompletely condensed hydroxysilsesquioxanes R 7 Si 7 O 9 (OH) 3 and R 7 Si 7 O 9 (OH) 2 OSiMePh 2 (R = c -C 5 H 9, c -C 6 H 11 ) have been used to form Lewis and Brønsted acidic boron and gallium silsesquioxane compounds. Treatment of ( c -C 5 H 9 ) 7 Si 7 O 9 (OH) 3 with BI 3 in the presence of an amine yielded…

Advanced ceramic materials synthesisSynthesis and characterization of novel inorganic/organometallic compoundsSilicone and Siloxane Chemistry

Influence of solvent on size of poly(p‐oxybenzoyl) whiskers prepared from p‐acetoxybenzoic acid

Kunio Kimura、Ashim Kumer Sarker、Hideki Ohmori 等 4 位作者2002-12-06Journal of Applied Polymer Science

Abstract Poly( p ‐oxybenzoyl) (POB) crystals are prepared by the polymerization of p ‐acetoxybenzoic acid ( p ‐ABA) at 320°C in various solvents to clarify the influence of miscibility between oligomer and solvent on the morphology as well as the size of the crystal. Concerning the morphology, whiskers are formed in l…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and CharacterizationSynthesis and properties of polymers

Induced crystallization of EVA having various VA contents by compressed CO2

Yeong‐Tarng Shieh、Yen‐Gu Lin2002-12-06Journal of Applied Polymer Science

Abstract The crystallization induced by compressed CO 2 was investigated for rubbery ethylene‐vinyl acetate copolymer (EVA) containing various amounts of vinyl acetate (VA). The induction of crystallization was demonstrated by appearance of shoulder‐like differential scanning calorimetry (DSC) endotherms at temperatur…

Polymer crystallization and propertiesCarbon dioxide utilization in catalysisPolymer Foaming and Composites

Size dependence of exciton–longitudinal-optical-phonon coupling inZnO/Mg0.27Zn0.73Oquantum wells

T. Makino、Kentaro Tamura、C. H. Chia 等 7 位作者2002-12-06Physical review. B, Condensed matter

We studied the photoluminescence taken at 5 K from ${\mathrm{Z}\mathrm{n}\mathrm{O}/\mathrm{M}\mathrm{g}}_{0.27}{\mathrm{Zn}}_{0.73}\mathrm{O}$ quantum wells on lattice-matched substrates which were grown by laser molecular-beam epitaxy. Well-width dependence of the coupling between localized excitons and longitudinal…

ZnO doping and propertiesGa2O3 and related materialsElectronic and Structural Properties of Oxides

Synthesis and characterization of photocrosslinkable, side‐chain, second‐order nonlinear optical poly(ester imide)s with great film‐forming ability and long‐term dipole orientation stability

Jiongxin Lu、Jie Yin2002-12-06Journal of Polymer Science Part A Polymer Chemistry

Abstract A series of photocrosslinkable, side‐chain, second‐order nonlinear optical (NLO) poly(ester imide)s (PEIs) based on a chromophore‐containing dianhydride, 2,2′‐{4‐[(4‐nitrophenyl)‐azo]phenyl}iminobis(ethyl benzene‐1,2‐dicarboxylic acid anhydride‐4‐carboxylate), benzophenone‐3,3′,4,4′‐tetracarboxylic dianhydrid…

Organic Electronics and PhotovoltaicsNonlinear Optical Materials ResearchSynthesis and properties of polymers

Reactive extrusion of polypropylene with supercritical carbon dioxide: Free radical grafting of maleic anhydride

B. M. Dorscht、Costas Tzoganakis2002-12-06Journal of Applied Polymer Science

Abstract A reactive extrusion process for the functionalization of polypropylene with maleic anhydride in the presence of supercritical carbon dioxide was studied. Supercritical carbon dioxide was used in this reactive extrusion system to reduce the viscosity of the polypropylene melt phase by forming a polymer–gas so…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesPolymer Foaming and Composites

Electrochemical synthesis of novel polypyrrole microstructuresElectronic supplementary information (ESI) available: Fig. S1: transmittance IR and Raman spectrum of a PPy film generated at 1.2 V. See http://www.rsc.org/suppdata/cc/b2/b209245j/

Liangti Qu、Gaoquan Shi2002-12-06Chemical Communications

Polypyrrole microstructures with unusual morphologies have been synthesized by direct electrochemical oxidation of pyrrole in beta-naphthalenesulfonic acid aqueous solution.

Organic Electronics and PhotovoltaicsConducting polymers and applicationsAnalytical Chemistry and Sensors