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Electronic structureα′−NaV2O5:Wave-function-based embedded-cluster calculations

Liviu Hozoi、C. Presura、C. de Graaf 等 4 位作者2003-01-30Physical review. B, Condensed matter

Results of ab initio embedded-cluster calculations indicate that the doublet ground state of the $\mathrm{V}\ensuremath{-}{\mathrm{O}}_{R}\ensuremath{-}\mathrm{V}$ rung originates from a $\mathrm{V}{3d}_{\mathrm{xy}}^{1}--{\mathrm{O}}_{R}{2p}_{y}^{1}--\mathrm{V}{3d}_{\mathrm{xy}}^{1}$ configuration. In the high temper…

Transition Metal Oxide NanomaterialsAdvanced Condensed Matter PhysicsCatalysis and Oxidation Reactions

Aligned carbon nanotubes patterned photolithographically by silver

Shaoming Huang、Albert H. W. Mau2003-01-30Applied Physics Letters

Selective growth of aligned carbon nanotubes (CNTs) by pyrolysis of iron (II) phthalocyanine (FePc) on quartz substrate patterned photolithographically by metallic silver has been demonstrated. Micro/nanopattern of aligned CNTs can be achieved by using a photomask with features on a microscale. With convenient use of…

Carbon Nanotubes in CompositesMechanical and Optical ResonatorsNanopore and Nanochannel Transport Studies

Effects of Additives on Oxygen Reduction Kinetics at the Interface between Platinum and Perfluorinated Ionomer

Tatsuhiro Okada、Hiroki Satou、Makoto Yuasa2003-01-30Langmuir

The oxygen reduction reaction (ORR) at platinum electrodes covered with perfluorosulfonated ionomer film was studied in 0.05 mol dm -3 H 2 SO 4 in the presence of various kinds of ammonium ions. Ammonium ion derivatives (R 4 N) 2 SO 4 (R = H, CH 3 ) and (R 4 N)HSO 4 (R = C 2 H 5, C 3 H 7, and C 4 H 9 ) were added with…

Electrochemical sensors and biosensorsConducting polymers and applicationsAnalytical Chemistry and Sensors

Iron Hemiporphycene as a Functional Prosthetic Group for Myoglobin

Saburo Neya、Kiyohiro Imai、Hiroshi Hori 等 10 位作者2003-01-30Inorganic Chemistry

The iron complex of hemiporphycene, a molecular hybrid of porphyrin with porphycene, was incorporated into the apomyoglobin pocket to examine ligand binding ability of the iron atom in the novel porphyrinoid. Apomyoglobin was successfully coupled with a stoichiometric amount of ferric hemiporphycene to afford the reco…

Porphyrin and Phthalocyanine ChemistryHemoglobin structure and functionPorphyrin Metabolism and Disorders

Elastic properties and pressure‐induced phase transitions of single‐walled carbon nanotubes

Stephanie Reich、C. Thomsen、Pablo Ordejón2003-01-30physica status solidi (b)

Abstract We studied the structure of single‐walled carbon nanotubes under hydrostatic pressure by first‐principles calculations. The circular tubes collapse at high pressure (7 GPa) to a phase with an elliptical cross‐section. The elliptical structure leads to the formation of diamond‐like bonds between the tubes at t…

Carbon Nanotubes in CompositesGraphene research and applicationsBoron and Carbon Nanomaterials Research

Inclusion Compound from a Semifluorinated Alkane and β-Cyclodextrin

Pierandrea Lo Nostro、Ilaria Santoni、Massimo Bonini 等 4 位作者2003-01-30Langmuir

Inclusion compounds (ICs) were obtained for the first time from a semifluorinated n -alkane (F(CF 2 ) 8 (CH 2 ) 16 H, abbreviated F 8 H 16 ) with β-cyclodextrin (β-CD) in water. Because of the hydrophobic nature of the two constituent blocks, the semifluorinated alkane readily penetrates the hydrophobic CD's cavity, t…

Surface Modification and SuperhydrophobicitySilicone and Siloxane ChemistryInorganic Fluorides and Related Compounds

Observation of light polarization-dependent structural changes in chalcogenide glasses

Gang Chen、Himanshu Jain、Miroslav Vlček 等 7 位作者2003-01-30Applied Physics Letters

The atomistic origin of photoinduced vector (polarization-dependent) phenomena in As–Se films is determined by extended x-ray absorption fine structure with in situ exposure to polarized laser light. A vector structural change is observed directly for any material: there is an expansion of the nearest-neighbor distanc…

Glass properties and applicationsChalcogenide Semiconductor Thin FilmsPhase-change materials and chalcogenides

Growth and structural analysis of metalorganic chemical vapor deposited (1120) MgxZn1−xO (0<x<0.33) films on (0112) R-plane Al2O3 substrates

Sriram Muthukumar、Jian Zhong、Y. Chen 等 5 位作者2003-01-30Applied Physics Letters

Mg x Zn 1−x O (0<x<0.33) thin films were grown on R-plane (011̄2) sapphire substrate by metalorganic chemical vapor deposition. It was found that a thin ZnO buffer layer with a minimum thickness of ∼50 Å is needed to achieve wurtzite-type MgxZn1−xO films on R-plane sapphire. The x-ray Δω(112̄0) rocking c…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Pressure evolution of the phonon modes and force constants of Tb3Al5O12 and Lu3Al5O12

Konstantinos Papagelis、J. Arvanitidis、S. Ves 等 4 位作者2003-01-30physica status solidi (b)

Abstract The pressure evolution of the Raman modes of Tb 3 Al 5 O 12 and Lu 3 Al 5 O 12 has been measured at room temperature and analyzed theoretically with the rigid ion model. Satisfactory agreement between experiment and theory has been found. The extracted pressure variation of the bond bending and bond stretchin…

Luminescence Properties of Advanced MaterialsSolid State Laser TechnologiesMagneto-Optical Properties and Applications

Pressure effects on transition metal monoxide NiO

Y. Ishida、Y. Mita、Minoru Kobayashi 等 4 位作者2003-01-30physica status solidi (b)

Abstract Raman and absorption measurements under high pressure were performed in NiO single crystals at room temperature. A drastic increase of the absorption intensity was observed in the whole visible range. Furthermore, the intensity of a defect induced Raman peak located around 500 cm –1 becomes remarkably, especi…

Transition Metal Oxide Nanomaterials

Solution polycondensation of isophthalic acid/terephthalic acid and tetrachlorobisphenol A of low polymerizability with tosyl chloride/dimethylformamide/pyridine improved by the introduction of comonomers of smaller sizes

Fukuji Higashi、Miwako Moriya2003-01-30Journal of Polymer Science Part A Polymer Chemistry

Abstract The copolycondensations of a mixture of equal parts of isophthalic acid and terephthalic acid with tetrachlorobisphenol A (TC‐BPA) and various aromatic diol comonomers were performed with a tosyl chloride/dimethylformamide/pyridine condensing agent. The reaction with bisphenols containing nonpolar substituent…

Advanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and propertiesSynthesis and properties of polymers

Synthesis and Characterization of a 1:6 Au−CdSe Nanocomposite

Scott L. Cumberland、Mia G. Berrettini、Artjay Javier 等 4 位作者2003-01-30Chemistry of Materials

Development of synthetic strategies that allow the formation of controlled 3-dimensional architectures composed of discrete ensembles of nanoparticles is a challenging goal. We present a synthetic strategy that allows the preparation of a macroscopic 3-D metal−semiconductor assemblage composed of 6.0-nm Au and 6.0-nm…

2D Materials and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Deuteron NMR Study of Polyaniline and Polyaniline/Clay Nanocomposite

Yanina A. Goddard、Robert L. Vold、Gina L. Hoatson2003-01-30Macromolecules

Different forms of solid polyaniline (Pani) and polyaniline intercalated into montmorillonite clay layers have been characterized by solid-state deuteron quadrupole echo and magic angle spinning NMR experiments. Quadrupole echo spectra reveal different fractions of fast flipping phenyl rings for conductive emeraldine…

Advanced Battery Materials and TechnologiesFuel Cells and Related MaterialsConducting polymers and applications

[2.2]Paracyclophanes with Defined Substitution Pattern—Key Compounds for the Mechanistic Understanding of the Gilch Reaction to Poly(p‐phenylene vinylene)s

Jens Wiesecke、Matthias Rehahn2003-01-30Angewandte Chemie International Edition

Radical reassessment: [2.2]Paracyclophanes D and E have been identified as the main side-products of the Gilch reaction leading to poly(p-phenylene vinylene)s (PPV B). The constitution of the cyclic dimers allows the conclusion to be drawn that the PPV formation occurs by free-radical polymerization of C, initiated by…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsSynthesis and Properties of Aromatic Compounds

Studies on the repassivation behavior of aluminum and aluminum alloy exposed to chromate solutions

Devicharan Chidambaram、M. Jaime Vasquez、Gary P. Halada 等 4 位作者2003-01-30Surface and Interface Analysis

Abstract This study explores the repassivation ability of a scratch in a chromate conversion coating (CCC) on aluminum alloy, AA2024‐T3, and hence evaluates the theory of migration of hexavalent chromium ions from the protected surface of the aluminum alloy to the exposed surface. To confirm that protection was indeed…

Corrosion Behavior and InhibitionMetal and Thin Film MechanicsMaterials Engineering and Processing

Spectroelectrochemical and AFM Studies of Doping−Undoping of Poly(3-hexylthiophene) Films in Propylene Carbonate and Aqueous Solutions of LiClO4

Magdalena Skompska、Artur Szkurłat、Andrzej Kowal 等 4 位作者2003-01-30Langmuir

We report in situ electrochemical atomic force microscopic (EC-AFM) data and spectroelectrochemical results on doping−undoping of the films of regioregular poly(3-hexylthiophene) in propylene carbonate (PC) and aqueous solutions of 0.1 M LiClO 4 . The redox process of the polymer in propylene carbonate is accompanied…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsElectrochemical Analysis and Applications

Volume transition of nematic gels in nematogenic solvents

Kenji Urayama、Yuko Okuno、Toshio Nakao 等 4 位作者2003-01-30The Journal of Chemical Physics

Equilibrium swelling and phase behavior of liquid crystalline (LC) networks swollen in miscible nematogenic solvents has been investigated by polarizing microscopy as a function of temperature. Four systems, i.e., each of two different LC networks comprising dissimilar mesogens in two different nematic solvents, exhib…

Liquid Crystal Research AdvancementsHydrogels: synthesis, properties, applicationsAdvanced Materials and Mechanics

Electronic and magnetic properties of MnN versus MnAs

Anderson Janotti、Su‐Huai Wei、L. Bellaïche2003-01-30Applied Physics Letters

Electronic and magnetic properties of MnN and MnAs compounds in the hypothetical cubic zinc-blende phase are studied using first-principles band structure method. We show that the high electronegativity and small atomic size of N compared to As lead to interesting consequences: MnN has a low-spin antiferromagnetic gro…

ZnO doping and propertiesGaN-based semiconductor devices and materialsMetal and Thin Film Mechanics

Simulated carrier transport in smectic mesophase and its comparison with experimental result

Akira Ohno、J. Hanna2003-01-30Applied Physics Letters

We have investigated charge carrier transport in the smectic mesophases of a liquid crystal, i.e., a 2-phenylnaphthalene derivative, by computational Monte Carlo simulation and time-of-flight experiments. The unique carrier transport properties characterized by field-independent high mobility over 10−3 cm2/V s observe…

Organic Electronics and PhotovoltaicsLiquid Crystal Research AdvancementsPhotochemistry and Electron Transfer Studies

Semiconductor–metal transitions in lead chalcogenides at high pressure

Sergey V. Ovsyannikov、Vladimir V. Shchennikov、S. Vict. Popova 等 4 位作者2003-01-30physica status solidi (b)

Abstract The results of thermoelectric power ( S ) measurements of the lead chalcogenides PbS, PbSe, and PbTe at the initial NaCl‐phase, as high‐pressure semiconductors (above 2–6 GPa), and at metal phases (above 10–15 GPa) are presented. Phase transitions are discussed in terms of the model of Peierls distortion of l…

Advanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsSemiconductor materials and interfaces