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Modeling Alkali Atoms Deposition on TiO2 (110) Surface

Miguel A. San‐Miguel、Carmen J. Calzado、Javier Fdez. Sanz2001-02-07The Journal of Physical Chemistry B

A few studies of alkali atoms deposition on the (110)-rutile surface have been reported in the last years. The process involves a selective electron transfer from the alkali atoms to the surface penta-fold Ti atoms, and it has been well characterized by both experimental and theoretical techniques. However, the adsorp…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceElectronic and Structural Properties of Oxides

Photooxidations of phenol, cyclopentadiene and citronellol with photosensitizers ionically bound at a polymeric ion exchanger

Robert Gerdes、Oliver Bartels、G. Schneider 等 5 位作者2001-02-07Polymers for Advanced Technologies

Abstract Different metal tetrasulfophthalocyanines and rose bengal were employed as photosensitizers in the photooxidation of phenol, cyclopentadiene and (S)‐(−)‐citronellol. Ionically polymer bound photosensitizers were easily obtained by the reaction of negatively charged low‐molecular‐weight phthalocyanines with th…

TiO2 Photocatalysis and Solar CellsPorphyrin and Phthalocyanine ChemistryAnalytical Chemistry and Sensors

Spin-tripletf-wave-like pairing proposed for an organic superconductor(TMTSF)2PF6

Kazuhiko Kuroki、Ryotaro Arita、Hideo Aoki2001-02-07Physical review. B, Condensed matter

By examining how the spin- and/or charge-fluctuation exchange can contribute to pairing instabilities, we propose that a spin-triplet f-wave-like pairing with a d-vector perpendicular to the b-axis may be realized in $(\mathrm{TMTSF}{)}_{2}{\mathrm{PF}}_{6}$ due to (i) a quasi-one-dimensional Fermi surface, (ii) a coe…

Magnetism in coordination complexesAdvanced Condensed Matter PhysicsOrganic and Molecular Conductors Research

Millimeter-Wave Spectroscopy of the Organic Spin−Peierls System β‘-(ET)2SF5CF2SO3

B. H. Ward、Isaac Rutel、J. S. Brooks 等 6 位作者2001-02-07The Journal of Physical Chemistry B

The first purely organic BEDT-TTF spin−Peierls system, β‘-(ET) 2 SF 5 CF 2 SO 3, has been confirmed using a high-frequency electron paramagnetic resonance (EPR) cavity perturbation technique. The material exhibits the characteristics of a quasi-one-dimensional (1D) Heisenberg antiferromagnetic spin system above 30 K,…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesOrganic and Molecular Conductors Research

Application of a Trisiloxane Surfactant for Removal of Oils from Hydrophobic Surfaces

N. V. Churaev、А. П. Ершов、N. E. Esipova 等 6 位作者2001-02-07Langmuir

Rates of advancing and receding menisci motion, v, under applied pressure difference Δ P in thin methylated quartz capillaries were investigated for trisiloxane solution−gas and trisiloxane solution−silicone oil systems. Dynamic values of the tension of wetting were calculated from the v (Δ P ) dependence. Both dynami…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferPickering emulsions and particle stabilization

Degradation and 5‐fluorouracil release behavior in vitro of polycaprolactone/poly(ethylene oxide)/polylactide tri‐component copolymer† 1

Shenguo Wang、Hong Wang、Qing Cai 等 4 位作者2001-02-07Polymers for Advanced Technologies

Abstract The in vitro degradation behavior of the polyester/polyether copolymer based on polycaprolactone/poly(ethylene oxide)/polylactide (PCEL) significantly depends on the caproxyl (CL)/lactyl (LA) ratio for the same poly(ethylene oxide) (PEO) content. The PCEL copolymer with rich CL units shows the crystalline str…

biodegradable polymer synthesis and propertiesPolymer Nanocomposite Synthesis and IrradiationGraphene and Nanomaterials Applications

Rb4Hg5(Te2)2(Te3)2Te3, [Zn(en)3]4In16(Te2)4(Te3)Te22, and K2Cu2(Te2)(Te3): Novel Metal Polytellurides with Unusual Metal−Tellurium Coordination

Xuean Chen、Xiao‐Ying Huang、Jing Li2001-02-07Inorganic Chemistry

Three novel metal polytellurides Rb(4)Hg(5)(Te(2))(2)(Te(3))(2)Te(3) (I), [Zn(en)(3)](4)In(16)(Te(2))(4)(Te(3))Te(22) (II), and K(2)Cu(2)(Te(2))(Te(3)) (III) have been prepared by solvothermal reactions in superheated ethylenediamine at 160 degrees C. Their crystal structures have been determined by single-crystal X-r…

Synthesis and characterization of novel inorganic/organometallic compoundsCrystal Structures and PropertiesInorganic Chemistry and Materials

In-Situ FTIR Studies of Reactions at the Silicon/Liquid Interface: Wet Chemical Etching of Ultrathin SiO2 on Si(100)

K. T. Queeney、Hirokazu Fukidome、E. E. Chaban 等 4 位作者2001-02-07The Journal of Physical Chemistry B

We have developed an experimental setup to facilitate study of the surface reactions of single-crystal silicon with Fourier transform infrared (FTIR) spectroscopy in a variety of aqueous environments. Employing a short optical path length through the silicon sample allows access to the critical low-frequency region of…

Force Microscopy Techniques and ApplicationsSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands

Farzaneh Fadaei‐Tirani、F. Albert Cotton、S.P. Jeffery 等 5 位作者2001-02-07Inorganic Chemistry

Three new linear compounds of the type Co(3)(dpa)(4)X(2), where dpa is the anion of di(2-pyridyl)amine and X is NCS(-) (5), CN(-) (6), and N(CN)(2)(-) (7), have been prepared, and their structures and magnetic behavior have been studied. In all of them, including three different solvates of 5, the Co(3) chains are sym…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

The Superspreading Effect of Trisiloxane Surfactant Solutions

N. V. Churaev、N. E. Esipova、R. Hill 等 6 位作者2001-02-07Langmuir

The problem of superspreading has recently attracted much attention both from the theoretical point of view and because of the practical use of the phenomenon. However, up to now there is no general agreement about the mechanism of the effect and on the necessary conditions for its realization, in particular regarding…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferFluid Dynamics and Thin Films

Tuning the Metal−Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers

Farzaneh Fadaei‐Tirani、F. Albert Cotton、L.M. Daniels 等 6 位作者2001-02-07Inorganic Chemistry

Sixteen crystal structures have been determined for the Co3(dpa)(4)Cl2 (1) molecule in the following five crystalline solvates: 1.0.85(C2H5)(2)O.0.15CH2Cl2 (at 120, 213, 296 K); 1.C(4)H(8)O (at 120, 295 K); 1.C(6)H(6) (at 170, 213, 260, 316 K); 1.C(6)H(12) (at 120, 213, 295 K); and 1.1.75C(7)H(8).0.5C(6)H(14) (at 90,…

Organometallic Complex Synthesis and CatalysisMetal complexes synthesis and propertiesMagnetism in coordination complexes

Aggregation of Tetrakis( p -sulfonatophenyl)porphyrin within Modified Mesoporous MCM-41

Wei Xu、Haiquan Guo、Daniel L. Akins2001-02-07The Journal of Physical Chemistry B

We report the formation of monomeric and aggregated tetrakis( p -sulfonatophenyl)porphyrin encapsulated within an aluminosilicate mesostructure, specifically MCM-41, under different pH conditions. It was necessary to stabilize the synthesized MCM-41 through use of a silylation reagent, (aminopropyl)triethoxysilane, wh…

Mesoporous Materials and CatalysisPorphyrin and Phthalocyanine ChemistrySurface Chemistry and Catalysis

Hydrolytic degradation behavior of poly(butylene succinate)s with different crystalline morphologies

Kilwon Cho、Jae‐Young Lee、Kwan‐Wook Kwon2001-02-07Journal of Applied Polymer Science

The effect of crystalline morphology on the hydrolytic degradation behavior of poly(butylene succinate) (PBS) in an alkaline solution was investigated by using scanning electron microscopy, gel permeation chromatography, and weight loss measurement. Morphological changes were induced on PBS samples by different therma…

Advanced Polymer Synthesis and CharacterizationPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Low-frequency internal friction study of oxide-ion conductor La2Mo2O9

X P Wang、Q F Fang2001-02-07Journal of Physics Condensed Matter

The internal friction of oxide-ion conductor La 2 Mo 2 O 9 has been measured using a computer-controlled torsion pendulum. Two internal friction peaks were observed around 380 K and 833 K respectively at a vibration frequency of 1 Hz and a heating rate of 5 K min -1 . The lower-temperature peak is of relaxation type a…

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

Simple Scheme To Evaluate Crystal Nonlinear Susceptibilities: Semiempirical AM1 Model Investigation of 3-Methyl-4-nitroaniline Crystal

Frédéric Castet、Benoı̂t Champagne2001-02-07The Journal of Physical Chemistry A

A simple multiplicative scheme is proposed for the evaluation of the second-order nonlinear susceptibility of molecular crystals from the knowledge of the first hyperpolarizability of small molecular clusters. The principle of this new scheme is illustrated at the semiempirical AM1 level for 3-methyl-4-nitroaniline cr…

Crystallography and molecular interactionsNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography

Diffusive Dynamics of Water in the Presence of Homologous Disaccharides: A Comparative Study by Quasi Elastic Neutron Scattering. IV.

S. Magazù、Valentina Villari、P. Migliardo 等 5 位作者2001-02-07The Journal of Physical Chemistry B

The present paper reports on the study of the disaccharides' dynamics in aqueous solutions and discusses the role of their interaction with water, which seems to be responsible for the protective action on biological membranes and tissues. In particular, using QENS (IRIS at ISIS, RAL, U.K.) we compared the quasielasti…

Material Dynamics and PropertiesNMR spectroscopy and applicationsMagnetic and Electromagnetic Effects

Crystal and magnetic structure of orthorhombicHoMnO3

H.W. Brinks、J. Rodrı́guez-Carvajal、Helmer Fjellvåg 等 5 位作者2001-02-07Physical review. B, Condensed matter

$o\ensuremath{-}{\mathrm{HoMnO}}_{3}$ crystallizes in the ${\mathrm{GdFeO}}_{3}$-type structure (Pbnm) with no crystal structure anomalies below 295 K and with the Mn-O-Mn angle as low as 144.1\ifmmode^\circ\else\textdegree\fi{}. The ${\mathrm{Mn}}^{3+}$ and ${\mathrm{Ho}}^{3+}$ magnetic moments are ordered below ${T}…

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

First-principles electronic structure and its relation to thermoelectric properties ofBi2Te3

S. J. Youn、A. J. Freeman2001-02-07Physical review. B, Condensed matter

The electronic structure of ${\mathrm{Bi}}_{2}{\mathrm{Te}}_{3},$ which is a major constituent of the best thermoelectric material operating at room temperature, was calculated by using the first principles full-potential linearized-augmented-plane-wave method with spin-orbit interaction included by a second variation…

Advanced Thermoelectric Materials and DevicesTopological Materials and PhenomenaSuperconductivity in MgB2 and Alloys

Magnesium Hydroxide Dehydroxylation: In Situ Nanoscale Observations of Lamellar Nucleation and Growth

Michael J. McKelvy、Renu Sharma、A. V. G. Chizmeshya 等 5 位作者2001-02-07Chemistry of Materials

Lamellar dehydroxylation mechanisms are important in understanding highly reactive nanocrystal oxide formation as well as a variety of applied lamellar hydroxide reaction processes. These mechanisms have been observed for the first time via in situ nanoscale imaging for the prototype lamellar hydroxide: Mg(OH) 2 . Env…

Geochemistry and Elemental AnalysisLayered Double Hydroxides Synthesis and ApplicationsMagnesium Oxide Properties and Applications

Charge and Photoionization Properties of Single Semiconductor Nanocrystals

Todd D. Krauss、Stephen O’Brien、Louis E. Brus2001-02-07The Journal of Physical Chemistry B

The electrostatic charge and photoionization characteristics of 5-nm CdSe nanocrystals were directly observed with electrostatic force microscopy (EFM) in dry air at room temperature. Measurements were made on individual nanocrystals, as well as on those in self-assembled rafts. Nanocrystals are initially charge neutr…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films