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Charge-orbital ordering near the multicritical point inA-site ordered perovskites SmBaMn2O6andNdBaMn2O6

Daisuke Akahoshi、Y. Okimoto、Masato Kubota 等 7 位作者2004-08-26Physical Review B

Electronic and magnetic structures of $A$-site ordered perovskite-type manganites, $\mathit{Ln}\mathrm{Ba}{\mathrm{Mn}}_{2}{\mathrm{O}}_{6}$ ($\mathit{Ln}=\mathrm{Sm}$ and Nd), located close to the multicritical point of the competing phases, have been investigated by measurements of resonant x-ray scattering, optical…

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

Ideal tensile strength ofB2transition-metal aluminides

Tianshu Li、J. W. Morris、D. C. Chrzan2004-08-26Physical Review B

The ideal tensile strengths of the $\mathrm{B}2$-type $(\mathrm{CsCl})$ transition-metal aluminides $\mathrm{FeAl}$, $\mathrm{CoAl}$, and $\mathrm{NiAl}$ have been investigated using an ab initio electronic structure total energy method. The three materials exhibit dissimilar mechanical behaviors under the simulated i…

Advanced ceramic materials synthesisBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

Fabrication and Characterization of Soluble Multi‐Walled Carbon Nanotubes Reinforced P(MMA‐co‐EMA) Composites

Junwei Yang、Jianhua Hu、Changchun Wang 等 5 位作者2004-08-26Macromolecular Materials and Engineering

Abstract Summary: Soluble multi‐walled carbon nanotubes ( s ‐MWNTs), obtained via amidation reaction of octadecylamine with purified multi‐walled carbon nanotubes ( p ‐MWNTs), were solution‐mixed with P(MMA‐ co ‐EMA) at various loadings. Compared to the p ‐MWNTs/P(MMA‐ co ‐EMA) composites, the s ‐MWNTs/P(MMA‐ co ‐EMA)…

Carbon Nanotubes in CompositesConducting polymers and applicationsFiber-reinforced polymer composites

Rearrangement of the Aggregation of the Gelator during Sol−Gel Transcription of a Dimeric Cholesterol-Based Viologen Derivative into Fibrous Silica

Pengchong Xue、Ran Lu、Dongmei Li 等 7 位作者2004-08-26Chemistry of Materials

New dimeric cholesterol-based viologen derivative 1 has been prepared and can form a very stable supergel in 1-butanol. To characterize the aggregation mode of 1 in the organogel phase, transmission electron microscopy (TEM) images, small-angle X-ray diffraction (SAXRD) patterns, and circular dichroism (CD) spectra we…

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

N,N‘-Dicyanoquinone Diimines (DCNQIs): Versatile Acceptors for Organic Conductors

Siegfried Hünig、Edith Herberth2004-08-26Chemical Reviews

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTN,N'-Dicyanoquinone Diimines (DCNQIs): Versatile Acceptors for Organic ConductorsSiegfried Hünig and Edith HerberthView Author Information Institute of Organic Chemistry, University of Würzburg, Am Hubland, D-97074 Würzburg, Germany Cite this: Chem. Rev. 2004, 104, 11, 5535–…

Organic Electronics and PhotovoltaicsMagnetism in coordination complexesOrganic and Molecular Conductors Research

Silicon Monoxide Clusters: The Favorable Precursors for Forming Silicon Nanostructures

Ruifeng Zhang、Mingwen Zhao、S. T. Lee2004-08-26Physical Review Letters

Using density-functional calculations, we show that the energetically favorable configurations of silicon monoxide clusters (SiO)n for n> or =5 facilitate the nucleation and growth of silicon nanostructures as the clusters contain sp3 silicon cores surrounded by silicon oxide sheaths. The frontier orbitals of (SiO)n c…

Graphene research and applicationsSemiconductor materials and devicesSilicon Nanostructures and Photoluminescence

Porous‐Conductive Chitosan Scaffolds for Tissue Engineering, 1

Ying Wan、Hua Wu、Dijiang Wen2004-08-26Macromolecular Bioscience

Novel porous-conductive chitosan scaffolds were fabricated by incorporating conductive polypyrrole (PPy) particles into a chitosan matrix and employing a phase separation technique to build pores inside the scaffolds. Conductive polypyrrole particles were prepared with a microemulsion method using FeCl3 as a dopant. T…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Polypyrrole: Diffusion Coefficients and Degradation by Overoxidation

Toribio F. Otero、Manuel Márquez、Iván J. Suárez2004-08-26The Journal of Physical Chemistry B

The electroactivity of electrogenerated polypyrrole films was degraded by applying consecutive anodic potential pulses (overoxidation). After each degradation step, the electroactivity of the material was recorded by voltammetric and chronoamperometric measurements. The charge consumed during each degradation step was…

Supercapacitor Materials and FabricationConducting polymers and applicationsElectrochemical Analysis and Applications

Structural Studies of Mono‐ and Dimetallic MoVI Complexes − A New Mechanistic Contribution in Catalytic Olefin Epoxidation Provided by Oxazoline Ligands

José A. Brito、Montserrat Gómez、Guillermo Muller 等 7 位作者2004-08-26European Journal of Inorganic Chemistry

Abstract New seven‐coordinate oxo(peroxo)molybdenum( VI ) complexes with bidentate chiral oxazolines, anionic κ 2 ‐ N , O ( V ) and neutral κ 2 ‐ N , N ( VI ), have been prepared and fully characterised by NMR spectroscopy and single‐crystal X‐ray diffraction studies. Dimetallic dioxo(μ‐oxo)molybdenum( VI ) compounds…

Metal complexes synthesis and propertiesPolyoxometalates: Synthesis and ApplicationsMetal-Catalyzed Oxygenation Mechanisms

Optimum solubility (OS) screening: an efficient method to optimize buffer conditions for homogeneity and crystallization of proteins

Jarmila Jancarik、Ramona Pufan、Connie Hong 等 5 位作者2004-08-26Acta Crystallographica Section D Biological Crystallography

One of the most critical steps in the preparation of protein samples for structural studies by X-ray crystallography is to obtain biochemically pure and conformationally homogenous protein samples. Very often, the purified sample does not meet these qualifications and therefore does not crystallize. A screening method…

Protein Structure and DynamicsProtein purification and stabilityEnzyme Structure and Function

Structural Solution of Mesocaged Material AMS-8

Alfonso E. Garcia‐Bennett、Keiichi Miyasaka、Osamu Terasaki 等 4 位作者2004-08-26Chemistry of Materials

A novel mesoporous material prepared using the recently reported co-assembly of anionic surfactants with organosilane groups has been studied in depth using high-resolution transmission electron microscopy (HRTEM) and electron crystallography. A three-dimensional (3D) structural solution of AMS-8 was obtained by Fouri…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsCovalent Organic Framework Applications

The charge density of urea from synchrotron diffraction data

Henrik Birkedal、Dennis Madsen、Ragnvald H. Mathiesen 等 7 位作者2004-08-26Acta Crystallographica Section A Foundations of Crystallography

The charge density of urea is studied using very high precision single-crystal synchrotron-radiation diffraction data collected at the Swiss-Norwegian Beam Lines at ESRF. An unprecedented resolution of 1.44 A(-1) in sin theta;/lambda is obtained at 123 K. The optimization of the experiment for charge-density studies i…

Crystallography and molecular interactionsX-ray Diffraction in CrystallographyInorganic Fluorides and Related Compounds

Unusual Freezing and Melting of Gallium Encapsulated in Carbon Nanotubes

Zongwen Liu、Yoshio Bando、Masanori Mitome 等 4 位作者2004-08-26Physical Review Letters

The freezing and melting behavior of gallium (Ga) encapsulated in carbon nanotubes was investigated through in situ observation in a transmission electron microscope. It is shown that Ga remains liquid up to $\ensuremath{-}80\text{ }\ifmmode^\circ\else\textdegree\fi{}\mathrm{C}$ when encapsulated in carbon nanotubes.…

Carbon Nanotubes in Compositesnanoparticles nucleation surface interactionsChemical and Physical Properties of Materials

Affinity Selection of Peptide Phage Libraries against Single-Wall Carbon Nanohorns Identifies a Peptide Aptamer with Conformational Variability

Daisuke Kase、John L. Kulp、Masako Yudasaka 等 6 位作者2004-08-26Langmuir

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTAffinity Selection of Peptide Phage Libraries against Single-Wall Carbon Nanohorns Identifies a Peptide Aptamer with Conformational VariabilityDaisuke Kase, John L. Kulp, Masako Yudasaka, John Spencer Evans, Sumio Iijima, and Kiyotaka ShibaView Author Information Department of…

Molecular Junctions and NanostructuresOrigins and Evolution of LifeDiatoms and Algae Research

In Silico Assembly of Alzheimer's Aβ16-22 Peptide into β-Sheets

Sébastien Santini、Normand Mousseau、Philippe Derreumaux2004-08-26Journal of the American Chemical Society

Recent studies suggest that soluble oligomers of amyloid-forming peptides have toxic effects in cell cultures. In this study, the folding of three Alzheimer's A beta(16-22) peptides have been simulated with the activation-relaxation technique and a generic energy model. Starting from randomly chosen states, the predic…

Protein Structure and DynamicsAlzheimer's disease research and treatmentsSupramolecular Self-Assembly in Materials

Microkinetic Modeling for Water-Promoted CO Oxidation, Water−Gas Shift, and Preferential Oxidation of CO on Pt

Ashish B. Mhadeshwar、Dionisios G. Vlachos2004-08-26The Journal of Physical Chemistry B

A comprehensive surface reaction mechanism on Pt is presented that is capable of describing CO oxidation, H 2 oxidation, water−gas shift (WGS), preferential oxidation (PROX) of CO, and the promoting role of H 2 O on CO oxidation reasonably well. This mechanism consists of a literature CO oxidation model, a surface rea…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions

SrTiO3(001)(2×1)reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images

Karen Johnston、Martin R. Castell、A. T. Paxton 等 4 位作者2004-08-26Physical Review B

$(1\ifmmode\times\else\texttimes\fi{}1)$ and $(2\ifmmode\times\else\texttimes\fi{}1)$ reconstructions of the (001) $\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3}$ surface were studied using the first-principles full-potential linear muffin-tin orbital method. Surface energies were calculated as a function of $\mathrm{Ti}{\ma…

Semiconductor materials and devicesMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

High Pressure X-ray Diffraction Study of MgMn2O4 Tetragonal Spinel

Lorenzo Malavasi、Cristina Tealdi、Monica Amboage 等 5 位作者2004-08-26arXiv

The phase stability of the MgMn2O4 spinel has been studied by means of high-pressure X-ray diffraction for pressures up to 30 GPa. Two samples with different inversion degrees have been considered. Both spinels undergo a phase transition towards an orthorhombic structure (CaMn2O4-type). For the more inverted sample th…

Materials Science

Quantum Interferences in the Raman Cross Section for the Radial Breathing Mode in Metalic Carbon Nanotubes

G. Bussi、J. Menendez、J. Ren 等 5 位作者2004-08-26arXiv

The lineshapes of the Raman excitation profiles for radial breathing modes in carbon nanotubes are shown to be strongly affected by interference effects that arise whenever strong optical transitions are separated by a small energy. This is the case in metallic zigzag and chiral tubes, where one-dimensional singularit…

Materials Science

Electronic structure ofZnCNi3

M. D. Johannes、Warren E. Pickett2004-08-26Physical Review B

According to a recent report by Park et al., ${\mathrm{ZnCNi}}_{3}$ is isostructural and isovalent to the superconducting $({T}_{c}\ensuremath{\sim}8\phantom{\rule{0.3em}{0ex}}\mathrm{K})$ antiperovskite, ${\mathrm{MgCNi}}_{3}$, but shows no indication of a superconducting transition down to $2\phantom{\rule{0.3em}{0e…

Advanced Battery Materials and TechnologiesSuperconductivity in MgB2 and AlloysThermal Expansion and Ionic Conductivity