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Mechanisms of Pore Size Control in MSU-X Mesoporous Silica

Cédric Boissière、Marco António Utrera Martines、Miriam Sanae Tokumoto 等 5 位作者2002-12-20Chemistry of Materials

Mesoporous silicas of the MSU-X type, made with nonionic polyethylenoxide-based (PEO) surfactants, were synthesized according to a two-step process that gives intermediary stable hybrid micelles. The influence of the various synthesis parameters, such as the silica concentration, the addition of a swelling agent (TMB:…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

Analytical approximation of the two-dimensional percolation threshold for fields of overlapping ellipses

Yun–Bo Yi、A. M. Sastry2002-12-20Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Percolation of particle arrays is of high interest in microstructural design of materials. While there have been numerous contributions to theoretical modeling of percolation in particulate systems, no analytical approximation for the generalized problem of variable aspect-ratio ellipses has been reported. In the pres…

Material Dynamics and PropertiesTheoretical and Computational PhysicsStochastic processes and statistical mechanics

Effect of external stress on ferroelectricity in epitaxial thin films

A. Yu. Emelyanov、N. A. Pertsev、Andréi L. Kholkin2002-12-20Physical review. B, Condensed matter

A nonlinear thermodynamic theory is used to describe the influence of an external mechanical loading on the ferroelectric, dielectric, and piezoelectric properties of epitaxial thin films grown on dissimilar cubic substrates. The calculations are performed for single-domain perovskite films in the approximation of a h…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesAdhesion, Friction, and Surface Interactions

Automated side-chain model building and sequence assignment by template matching

Thomas C. Terwilliger2002-12-20Acta Crystallographica Section D Biological Crystallography

An algorithm is described for automated building of side chains in an electron-density map once a main-chain model is built and for alignment of the protein sequence to the map. The procedure is based on a comparison of electron density at the expected side-chain positions with electron-density templates. The template…

Protein Structure and DynamicsRNA and protein synthesis mechanismsEnzyme Structure and Function

Tuning of Nanotube Mechanical Resonances by Electric Field Pulling

Stephen T. Purcell、P. Vincent、Catherine Journet 等 4 位作者2002-12-20Physical Review Letters

We show here that field emission (FE) can be used to directly observe the vibration resonances nu(R) of carbon nanotubes (CNTs) and that the tension created by the applied field allows the tuning of these resonances by up to a factor of 10. The resonances are observable by the changes they create in the FE pattern or…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Hydrogen adsorption onsp2-bonded carbon: Influence of the local curvature

Pascal Ruffieux、Oliver Gröning、M. Bielmann 等 6 位作者2002-12-20Physical review. B, Condensed matter

The interaction of atomic hydrogen and low-energy hydrogen ions with ${\mathrm{sp}}^{2}$-bonded carbon is investigated on the surfaces of ${\mathrm{C}}_{60}$ multilayer films, single-walled carbon nanotubes, and graphite (0001). These three materials have been chosen to represent ${\mathrm{sp}}^{2}$-bonded carbon netw…

Carbon Nanotubes in CompositesGraphene research and applicationsDiamond and Carbon-based Materials Research

Two Crystal Structures of Ag+-and TI+-Exchanged Zeolite X, Ag27TI65-X and Ag23TI69-X

Soo‐Hyun Kim2002-12-20Bulletin of the Korean Chemical Society

Two crystal structures of dehydrated <TEX>$Ag^+-andTl^+$</TEX>-exchanged zeolite X<TEX>$Ag_{27}Tl_{65-}X\;and\;Ag_{23}Tl_{69-}X$</TEX>have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1) <TEX>$^{\circ}C(a=24.758(4)\AAa=24.947(4)$</TEX>, <TEX>${\AA}respectively).$</T…

Crystal Structures and PropertiesX-ray Diffraction in CrystallographyCrystallography and Radiation Phenomena

Ferroelectricity in (K@C$_{60}$)$_n$

Dennis P. Clougherty2002-12-20arXiv

A theoretical analysis of the ground state of long-chain (K@C$_{60}$)$_n$ is presented. Within mean field theory, a ferroelectric ground state is found to be stable because of the pseudo-Jahn-Teller mixing of the b$_{1u}$ and the b$_{2g}$ band with a zone-center optical phonon involving the displacement of the endohed…

Materials Science

New sum rules relating the 1-body momentum distribution of the homogeneous electron gas to the Overhauser 2-body wave functions of its pair density

P. Ziesche、K. Pernal、F. Tasnadi2002-12-20arXiv

The recently derived sum rules for the scattering phase shifts of the Overhauser geminals (being 2-body-wave functions which parametrize the pair density together with an appropriately chosen occupancy) are generalized to integral equations which allow in principle to calculate the momentum distribution, supposed the…

Materials ScienceStrongly Correlated Electrons

Probe size effects on the microrheology of associating polymer solutions

Qiang Lü、Michael J. Solomon2002-12-20Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Diffusing wave spectroscopy has been used to investigate the thermally driven displacement of colloidal particles dispersed in solutions of associating polymers (APs). The effect of varying colloidal probe size on the measured particle displacements is studied in particular. Recent theories of microrheology are examin…

Material Dynamics and PropertiesSurfactants and Colloidal SystemsRheology and Fluid Dynamics Studies

Substituent and Solvent Effects on the Hyperporphyrin Spectra of Diprotonated Tetraphenylporphyrins

James R. Weinkauf、Sharon W. Cooper、Aaron Schweiger 等 4 位作者2002-12-20The Journal of Physical Chemistry A

UV−visible spectra have been studied for a series of p-substituted tetraphenylporphyrins (TPPs) titrated with strong acid in various solvents. Substituent effects on the Soret and Q ( I ) absorption peaks and the fluorescence emission peaks have been treated by Hammett correlations. In general, there are only small ef…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesPhotochemistry and Electron Transfer Studies

Counterion-Dependent Excitonic Spectra of Tetra(p-carboxyphenyl)porphyrin Aggregates in Acidic Aqueous Solution

Myong Yong Choi、Jennifer A. Pollard、Michelle Webb 等 4 位作者2002-12-20Journal of the American Chemical Society

Aggregates of the diacid form of tetra(p-carboxyphenyl)porphyrin (TCPP) are found to be stabilized in aqueous solution at low pH in the presence of poly(vinyl alcohol). At pH values in the range from about 1 to 4, a split Soret band is observed which is independent of counterion and tentatively assigned to a dimer spe…

Porphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent MaterialsHemoglobin structure and function

Interaction between electronic structure and strain in Bi nanolines on Si(001)

J. H. G. Owen、K. Miki、D. R. Bowler2002-12-20arXiv

Heteroepitaxial strain can be a controlling factor in the lateral dimensions of 1-D nanostructures. Bi nanolines on Si(001) have an atomic structure which involves a large sub-surface reconstruction, resulting in a strong elastic coupling to the surrounding silicon. We present variable-bias STM and first principles el…

Materials Science

Chemomagnetism, magnetoconcentration effect and "fishtail" anomaly in chemically-induced granular superconductors

Sergei Sergeenkov2002-12-20arXiv

Within a 2D model of Josephson junction arrays (created by 2D network of twin boundary dislocations with strain fields acting as insulating barrier between hole-rich domains in underdoped crystals), a few novel effects expected to occur in intrinsically granular material are predicted including: (i) Josephson chemomag…

Materials ScienceSuperconductivity

Vibrational properties of single-wall nanotubes and monolayers of hexagonal BN

Daniel Sánchez‐Portal、Eduardo Hernández2002-12-20Physical review. B, Condensed matter

We report a detailed study of the vibrational properties of BN single-walled nanotubes and of the BN monolayer. Our results have been obtained from a well-established tight-binding model complemented with an electrostatic model to account for the long-range interactions arising from the polar nature of the material an…

Carbon Nanotubes in CompositesGraphene research and applicationsBoron and Carbon Nanomaterials Research

Physical picture for fractures in stratified materials: viscoelastic effects in large cracks

Ko Okumura2002-12-20arXiv

We present an intuitive physical picture for fractures in nacre-type stratified materials via scaling arguments: strain distributions around a fracture are rather different depending on directions and size of fractures. We thus observe that viscoelastic effects are important for parallel fractures. These effect are ta…

Materials ScienceSoft Condensed Matter

Syntheses of Dithienylcyclopentene Optical Molecular Switches

Linda N. Lucas、Jaap J. D. de Jong、Jan H. van Esch 等 5 位作者2002-12-20European Journal of Organic Chemistry

Properly functionalized dithienylethenes show promise for light-induced switching processes. To prevent cis/trans isomerization from competing with conrotatory 6π-electron ring closure, the ethene segment is usually incorporated in a (perfluorinated) cyclopentene. In the present article syntheses of perhydrocyclopente…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistryOrganic Chemistry Cycloaddition Reactions

Negative Spin Polarization ofFe3O4in Magnetite/Manganite-Based Junctions

G. Hu、Y. Suzuki2002-12-20Physical Review Letters

Epitaxial oxide trilayer junctions composed of magnetite ($\mathrm{F}{\mathrm{e}}_{\mathrm{3}}{\mathrm{O}}_{\mathrm{4}}$) and doped manganite ($\mathrm{L}{\mathrm{a}}_{\mathrm{0.7}}\mathrm{S}{\mathrm{r}}_{\mathrm{0.3}}\mathrm{M}\mathrm{n}{\mathrm{O}}_{\mathrm{3}}$) exhibit inverse magnetoresistance as large as $\ensur…

Magnetic and transport properties of perovskites and related materialsMultiferroics and related materialsAdvanced Condensed Matter Physics

Ordered Mesoporous Silica with Large Cage-Like Pores: Structural Identification and Pore Connectivity Design by Controlling the Synthesis Temperature and Time

Jivaldo R. Matos、Michał Kruk、Lucildes Pita Mercuri 等 9 位作者2002-12-20OpenAlex

FDU-1 silicas with large cage-like pores (diameter about 10 nm) were synthesized under acidic conditions from tetraethyl orthosilicate in the presence of a poly(ethylene oxide)-poly(butylene oxide)-poly(ethylene oxide) triblock copolymer template B50-6600 (EO(39)BO(47)EO(39)). High-resolution transmission electron mic…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisCovalent Organic Framework Applications

Recent developments on the epoxidation of alkenes using hydrogen peroxide as an oxidant

G. Grigoropoulou、James H. Clark、Jacob A. Elings2002-12-20OpenAlex

This paper reviews recent developments on the epoxidation of alkenes using hydrogen peroxide as an environmentally friendly oxidant. The activation of hydrogen peroxide takes place in the presence of a homogeneous metal catalyst such as tungten, manganese, iron and rhenium or through addition of stoichiometric amounts…

Polyoxometalates: Synthesis and ApplicationsChemical Synthesis and ReactionsOxidative Organic Chemistry Reactions