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Realistic many-body models for Manganese Monoxide under pressure

Jan M. Tomczak、T. Miyake、F. Aryasetiawan2010-06-03arXiv

In materials like transition metals oxides where electronic Coulomb correlations impede a description in terms of standard band-theories, the application of genuine many-body techniques is inevitable. Interfacing the realism of density-functional based methods with the virtues of Hubbard-like Hamiltonians, requires th…

Materials ScienceStrongly Correlated Electrons

Toward a single mode Free Electron Laser for coherent hard x-ray experiments

Sooheyong Lee、Zhirong Huang、Yuantao Ding 等 7 位作者2010-06-03arXiv

The fluctuations of the longitudinal coherence length expected from the world's first hard X-ray Free Electron Laser, the Linac Coherent Light Source, are investigated. We analyze, on a shot-to-shot basis, series of power spectra generated from 1D-FEL simulations. We evaluate how the intrinsic noise in the spectral pr…

physics.acc-phphysics.ins-detMaterials Science

Enantioselective Separation on Chiral Au Nanoparticles

Nisha Shukla、M A Bartel、Andrew J. Gellman2010-06-03Journal of the American Chemical Society

The surfaces of chemically synthesized Au nanoparticles have been modified with d- or l-cysteine to render them chiral and enantioselective for adsorption of chiral molecules. Their enantioselective interaction with chiral compounds has been probed by optical rotation measurements during exposure to enantiomerically p…

Nanocluster Synthesis and ApplicationsSupramolecular Self-Assembly in MaterialsGold and Silver Nanoparticles Synthesis and Applications

Cu-ZSM-5 Zeolites for the Formation of Methanol from Methane and Oxygen: Probing the Active Sites and Spectator Species

Nadzeya V. Beznis、Bert M. Weckhuysen、Johannes H. Bitter2010-06-03Catalysis Letters

A series of Cu-ZSM-5 zeolites was prepared by varying nature of the charge compensating cation, copper precursor, copper loading, and pH. The materials were tested for the oxidation of methane to methanol using oxygen. A linear relationship between the amount of methanol produced over Cu-ZSM-5 zeolites from methane an…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsMesoporous Materials and Catalysis

Imaging, Simulation, and Electrostatic Control of Power Dissipation in Graphene Devices

Myung‐Ho Bae、Zhun‐Yong Ong、David Estrada 等 4 位作者2010-06-03Nano Letters

We directly image hot spot formation in functioning mono- and bilayer graphene field effect transistors (GFETs) using infrared thermal microscopy. Correlating with an electrical-thermal transport model provides insight into carrier distributions, fields, and GFET power dissipation. The hot spot corresponds to the loca…

Graphene research and applicationsAdvancements in Semiconductor Devices and Circuit DesignThermal properties of materials

Core−Shell Nanosized Assemblies Mediated by the α−β Cyclodextrin Dimer with a Tumor-Triggered Targeting Property

Changyun Quan、Jingxiao Chen、Hui‐Yuan Wang 等 7 位作者2010-06-03ACS Nano

In this paper, the alpha-beta cyclodextrin dimer is designed via "click" chemistry to connect the hydrophilic and hydrophobic segments to form self-assembled noncovalently connected micelles (NCCMs) through host-guest interactions. A peptide containing the Arg-Gly-Asp (RGD) sequence was introduced to NCCMs as a target…

Nanoparticle-Based Drug DeliverySupramolecular Self-Assembly in MaterialsRNA Interference and Gene Delivery

The Polar Phase of NaNbO3: A Combined Study by Powder Diffraction, Solid-State NMR, and First-Principles Calculations

Karen E. Johnston、Chiu C. Tang、Julia E. Parker 等 6 位作者2010-06-03Journal of the American Chemical Society

A polar phase of NaNbO(3) has been successfully synthesized using sol-gel techniques. Detailed characterization of this phase has been undertaken using high-resolution powder diffraction (X-ray and neutron) and (23)Na multiple-quantum (MQ) MAS NMR, supported by second harmonic generation measurements and density funct…

Advanced Condensed Matter PhysicsNuclear materials and radiation effectsFerroelectric and Piezoelectric Materials

From Layered Double Hydroxides to ZnO-based Mixed Metal Oxides by Thermal Decomposition: Transformation Mechanism and UV-Blocking Properties of the Product

Xiaofei Zhao、Fazhi Zhang、Sailong Xu 等 5 位作者2010-06-03Chemistry of Materials

Thermal decomposition of layered double hydroxides (LDHs) is a way of fabricating mixed metal oxide (MMO) nanocomposite materials composed of metal oxide and spinel phases. A detailed understanding of the mechanism of the transformation of the LDH precursor to the MMO should allow the properties of the resulting MMO n…

Magnesium Oxide Properties and ApplicationsLayered Double Hydroxides Synthesis and ApplicationsThermal Expansion and Ionic Conductivity

Spin fluctuations and superconductivity in a three-dimensional tight-binding model forBaFe2As2

S. Gräser、A. F. Kemper、Thomas Maier 等 6 位作者2010-06-03Physical Review B

Despite the wealth of experimental data on the Fe-pnictide compounds of the $K{\text{Fe}}_{2}{\text{As}}_{2}$ type, $K=\text{Ba}$, Ca, or Sr, the main theoretical work based on multiorbital tight-binding models has been restricted so far to the study of the related 1111 compounds. This can be ascribed to the more thre…

Intellectual Capital and Performance AnalysisCorporate Taxation and AvoidanceIron-based superconductors research

Electron and Optical Phonon Temperatures in Electrically Biased Graphene

Stéphane Berciaud、Melinda Han、Kin Fai Mak 等 6 位作者2010-06-03Physical Review Letters

We examine the intrinsic energy dissipation steps in electrically biased graphene channels. By combining in-situ measurements of the spontaneous optical emission with a Raman spectroscopy study of the graphene sample under conditions of current flow, we obtain independent information on the energy distribution of the…

Carbon Nanotubes in CompositesGraphene research and applicationsThermal properties of materials

Evolution of Structure and Chemistry of Bimetallic Nanoparticle Catalysts under Reaction Conditions

Feng Tao、Michael Graß、Ya‐Wen Zhang 等 14 位作者2010-06-03Journal of the American Chemical Society

Three series of bimetallic nanoparticle catalysts (Rh(x)Pd(1-x), Rh(x)Pt(1-x), and Pd(x)Pt(1-x), x = 0.2, 0.5, 0.8) were synthesized using one-step colloidal chemistry. X-ray photoelectron spectroscopy (XPS) depth profiles using different X-ray energies and scanning transmission electron microscopy showed that the as-…

Catalytic Processes in Materials Sciencenanoparticles nucleation surface interactionsElectrocatalysts for Energy Conversion

An omnidirectional electromagnetic absorber made of metamaterials

Qiang Cheng、Tie Jun Cui、Wei Jiang 等 4 位作者2010-06-03OpenAlex

In a recent theoretical work by Narimanov and Kildishev (2009 Appl. Phys. Lett. 95 041106) an optical omnidirectional light absorber based on metamaterials was proposed, in which theoretical analysis and numerical simulations showed that all optical waves hitting the absorber are trapped and absorbed. Here we report t…

Thermal Radiation and Cooling TechnologiesMetamaterials and Metasurfaces ApplicationsAdvanced Antenna and Metasurface Technologies

Modeling the Time Evolution of the Nanoparticle-Protein Corona in a Body Fluid

Daniele Dell’Orco、Martin Lundqvist、Cecilia Oslakovic 等 5 位作者2010-06-03OpenAlex

BACKGROUND: Nanoparticles in contact with biological fluids interact with proteins and other biomolecules, thus forming a dynamic corona whose composition varies over time due to continuous protein association and dissociation events. Eventually equilibrium is reached, at which point the continued exchange will not af…

Blood properties and coagulationNanoparticle-Based Drug DeliveryPolymer Surface Interaction Studies

Major Effect of Electropolymerization Solvent on Morphology and Electrochromic Properties of PEDOT Films

Elena Poverenov、Mao Li、Arkady Bitler 等 4 位作者2010-06-03OpenAlex

Although significant efforts were devoted to improving the properties of conductive polymers, the effects of solvent and supporting electrolytes on the morphology and electrochromic features of electropolymerized materials have been scantly investigated. In this work, the effects of the polymerization conditions, such…

Transition Metal Oxide NanomaterialsConducting polymers and applicationsOrganic Electronics and Photovoltaics

THERMAL STABILITY AND DEUTERIUM ABSORPTION AT ROOM TEMPERATURE OF Ti<SUB>36</SUB>Zr<SUB>40</SUB>Ni<SUB>20</SUB>Pd<SUB>4</SUB> QUASICRYSTAL

Huogen HUANG、Liang Chen、Rong Li 等 4 位作者2010-06-02Acta Metallurgica Sinica

Ti-Zr-Ni quasicrystals can absorb a large amount of hydrogen, so have strong application potential in the hydrogen energy field and international thermonuclear experimental re- actor (ITER) program. However, the hydrogenation of the quasicrystals is often hindered and even poisoned due to their surface oxidation. To i…

Eurasian Exchange NetworksQuasicrystal Structures and PropertiesHydrogen Storage and Materials

Dehydration Behavior of Synthetic Al0.5Fe0.5PO4·2.5H2O

Banjong Boonchom、Naratip Vittayakorn2010-06-02Journal of Chemical & Engineering Data

The dehydration behavior of the experimentally produced Al 0.5 Fe 0.5 PO 4 ·2.5H 2 O solid solution is assessed from thermogravimetrical (TG, differential thermogravimetric, DTG, and differential thermal analysis, DTA) and differential scanning calorimetry (DSC) analyses. The dehydration proceeded through a well-defin…

Energetic Materials and CombustionThermal and Kinetic AnalysisCrystallization and Solubility Studies

Observation of a chemically labile, noncovalent enzyme intermediate in the reaction of metal‐dependent Aquifex pyrophilus KDO8PS by time‐resolved mass spectrometry

Anne Roberts、Cristina M. Furdui、Karen S. Anderson2010-06-02Rapid Communications in Mass Spectrometry

The direct detection of intermediates in enzymatic reactions can yield important mechanistic insights but may be difficult due to short intermediate lifetimes and chemical instability. Using a rapid-mixing device coupled with electrospray ionization time-of-flight mass spectrometry, the noncovalent hemiketal intermedi…

Enzyme Structure and FunctionAnalytical Chemistry and ChromatographyMass Spectrometry Techniques and Applications

Comportamiento frente al fuego de tableros y madera de Pino radiata con y sin pintura retardante de llama

Rose Marie Garay、Mauricio Henríquez2010-06-02Maderas Ciencia y tecnología

En aplicaciones para la construcción se requiere aportar al conocimiento del comportamiento de la madera y tableros a base de madera frente a la acción del fuego para mejorar condiciones de uso en servicio. Se comparó en tableros a base de madera y en madera sólida de pino radiata el efecto de una pintura retardante d…

Flame retardant materials and propertiesNatural Fiber Reinforced CompositesWood Treatment and Properties

Preparation of in situ (Fe,Cr)7C3/Fe composite coating by centrifugal casting

Limin Niu、Yi Xu、Hong Wu 等 4 位作者2010-06-02Surface Engineering

Using chromium wires as starting material, an iron based composite coating reinforced by in situ (Fe,Cr) 7 C 3 particles, with a thickness of 4·0 mm, was fabricated on the surface of the ductile cast iron substrate, by means of a centrifugal casting technique. The microstructure and properties of the composite coating…

Aluminum Alloys Composites PropertiesMetal Alloys Wear and PropertiesAdvanced materials and composites