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Polarizability of molecular chains: does one need exact exchange?

C. D. Pemmaraju、S. Sanvito、K. Burke2007-08-21arXiv

Standard density functional approximations greatly over-estimate the static polarizability of longchain polymers, but Hartree-Fock or exact exchange calculations do not. Simple self-interaction corrected (SIC) approximations can be even better than exact exchange, while their computational cost can scale only linearly…

Materials Sciencephysics.atm-clusphysics.comp-ph

Negative differential resistance of Styrene on an ideal Si[111] surface: dependence of the I-V characteristics on geometry, surface doping and shape of the STM-tip

Samuel E. Baltazar、Mario De Menech、Ulf Saalmann 等 5 位作者2007-08-21arXiv

We study the electron transport properties through a supported organic molecule styrene (C8H8) on an ideal silicon surface Si[111] and probed by a STM-tip. The I-V characteristics and the differential conductance of the molecule are calculated using a self consistent approach based on non equilibrium Green's functions…

Materials Science

Reaction-limited Colloidal Aggregation Induced by Salt and Inert Polymers

M. Hosek、J. X. Tang2007-08-21arXiv

Salt-induced aggregation of 20 nm colloidal silica is followed by light transmission, which shows an a kinetic form exp[-(t/t_0)^α], where α= 2.6 and t_0 is an empirical time constant which reflects the colloidal stability. We found a power law dependence of t_0 on ionic strength, which can be explained by the classic…

Materials ScienceSoft Condensed Matter

Studies of self-organized Nanostructures on InP(111) surfaces after low energy Ar+ ion irradiation

D. Paramanik、S. Majumdar、S. R. Sahoo 等 5 位作者2007-08-21arXiv

We report formation of self organized InP nano dots using 3 keV Ar+ ion sputtering, at $15^\circ$ incidence from surface normal, on InP(111) surface. Morphology and optical properties of the sputtered surface, as a function of sputtering time, have been investigated by Scanning Probe Microscopy and Raman Scattering te…

Materials Science

Ultrathin Oxides: Bulk-Oxide-Like Model Surfaces or Unique Films?

Christoph Freysoldt、Patrick Rinke、Matthias Scheffler2007-08-21Physical Review Letters

To better understand the electronic and chemical properties of wide-gap oxide surfaces at the atomic scale, experimental work has focused on epitaxial films on metal substrates. Recent findings show that these films are considerably thinner than previously thought. This raises doubts about the transferability of the r…

Catalytic Processes in Materials ScienceSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Myogenic Induction of Aligned Mesenchymal Stem Cell Sheets by Culture on Thermally Responsive Electrospun Nanofibers

Jin-Ge Dang、Kam W. Leong2007-08-21Advanced Materials

A thermally reversible culture substrate with a topographically active surface of aligned nanofibers is able to induce cytoskeletal alignment and nucleus elongation. These morphological changes induce myogenic differentiation in stem cells. The differentiated cells can be recovered in sheet form by thermally induced d…

Electrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative MedicineGraphene and Nanomaterials Applications

Electromagnetic cloaking by layered structure of homogeneous isotropic materials

Ying Huang、Yijun Feng、Tian Jiang2007-08-21Optics Express

Electromagnetic invisibility cloak requires material with anisotropic distribution of the constitutive parameters as first proposed by Pendry et al. [Science 312, 1780 (2006)]. In this paper, we proposed an electromagnetic cloak structure that does not require metamaterials with subwavelength structured inclusions to…

Metamaterials and Metasurfaces ApplicationsElectromagnetic Scattering and AnalysisAdvanced Antenna and Metasurface Technologies

Domain Control in Multiferroic BiFeO 3 through Substrate Vicinality

Ying‐Hao Chu、M. P. Cruz、Chan‐Ho Yang 等 10 位作者2007-08-21Advanced Materials

Control over ferroelectric polarization variants in BiFeO3 films through the use of various vicinal SrTiO3 substrates is demonstrated. The revolution of domain formation as a function of vicinality is characterized, and the ferroelectric polarization variants in these films and the corresponding structural variants ar…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Sulfur‐Functionalized Mesoporous Carbon

Yongsoon Shin、G. E. Fryxell、Wooyong Um 等 6 位作者2007-08-21Advanced Functional Materials

Abstract A simple synthesis route to mesoporous carbons that contain heteroaromatic functionality is described. The sulfur‐functionalized mesoporous carbon (S‐FMC) materials that have been prepared show excellent thermal stability, as well as excellent hydrothermal stability, and stability over a wide range of pH valu…

Metal-Organic Frameworks: Synthesis and ApplicationsMesoporous Materials and CatalysisCovalent Organic Framework Applications

Size-Dependent Upconversion Luminescence in Er3+/Yb3+-Codoped Nanocrystalline Yttria: Saturation and Thermal Effects

Xue Bai、Hongwei Song、Guohui Pan 等 10 位作者2007-08-21OpenAlex

In this paper, the upconversion luminescent properties of Y 2 O 3:Er 3+ (1%)/Yb 3+ (4%) nanoparticles with different sizes (13−55 nm) and its corresponding bulk material as a function of excitation power were studied under 978-nm excitation. Red ( 4 F 9/2 → 4 I 15/2 ), green ( 2 H 11/2, 4 S 3/2 → 4 I 15/2 ), and blue…

Luminescence Properties of Advanced MaterialsPerovskite Materials and ApplicationsGlass properties and applications

Nature of Native Defects in ZnO

F. A. Selim、Marc H. Weber、D. Solodovnikov 等 4 位作者2007-08-21OpenAlex

This study revealed the nature of native defects and their roles in ZnO through positron annihilation and optical transmission measurements. It showed oxygen vacancies are the origin for the shift in the optical absorption band that causes the red or orange coloration. It also revealed experimental evidence that the d…

ZnO doping and propertiesCopper-based nanomaterials and applicationsMuon and positron interactions and applications

Methotrexate Conjugated to Gold Nanoparticles Inhibits Tumor Growth in a Syngeneic Lung Tumor Model

Yu‐Hung Chen、Chiau-Yuang Tsai、Pon-Yu Huang 等 10 位作者2007-08-21OpenAlex

Methotrexate (MTX), a stoichiometric inhibitor of dihydrofolate reductase, is a chemotherapeutic agent for treating a variety of neoplasms. Impairment of drug import into cells and increase in drug export from cells may render cells resistant to MTX. MTX, when locally administered in a soluble form, is rapidly absorbe…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesInnovative Microfluidic and Catalytic Techniques Innovation

Polarization Studies on Inhibitory Effect of Chromates and Dichromates on Corrosion of Tin Coated Steel in 0.5M Monochloroacetic Acid

Sangita Sharma、Kinnari H. Parikh、Mahesh V. Kadia 等 5 位作者2007-08-20Journal of Chemistry

Chromates and Dichromates have been tested for its inhibitory effects towards tin coated steel in 0.5M monochloroacetic acid. The corrosion behaviour of potassium chromate, sodium chromate, potassium dichromate, sodium dichromate and ammonium dichromate was studied by polarization curves, Tafel parameters like Tafel s…

Corrosion Behavior and InhibitionConcrete Corrosion and DurabilityNon-Destructive Testing Techniques

Preparation and Characterization of Cu–SiO2Nanocomposite

Young Hwan Kim、Chang Woo Kim、Hyun Gil 等 10 位作者2007-08-20Molecular Crystals and Liquid Crystals

Cu–SiO2 nanocomposites have been studied to achieve hybrid structures at room temperature without an inert atmosphere. First, SiO2 nanoparticles were synthesized by the sol-gel method. Second, SiO2 nanoparticles deposited with copper (Cu–SiO2) were prepared by the reaction of the SiO2 nanoparticles and copper chloride…

Gold and Silver Nanoparticles Synthesis and ApplicationsCopper-based nanomaterials and applicationsNanomaterials for catalytic reactions

Mode structure and attenuation characteristics of hollow parabolic waveguides

Rodrigo J. Noriega-Manez、Julio C. Gutiérrez-Vega2007-08-20Journal of the Optical Society of America B

The mode structure and attenuation constants in parabolic hollow waveguides with arbitrary parabolic domains are investigated based on the exact vector field expressions and characteristic equations. Normalized attenuation charts are provided for a variety of mode numbers, parities, and polarizations. The analysis is…

Orbital Angular Momentum in OpticsOptical Coatings and GratingsCancer and Skin Lesions

The Effects of Ar-ion Bombardment and Annealing of D2O/Zircaloy-4 Surfaces Using XPS and UPS

Kyung-Sun Oh2007-08-20Bulletin of the Korean Chemical Society

The surface chemistry of D2O dosed Zircaloy-4 (Zry-4) surface followed by Ar-ion bombardment and annealing was studied by means of X-ray photoelectron spectroscopy (XPS) and Ultraviolet photoelectron spectroscopy (UPS). In the XPS study, Ar-ion bombardment caused decrease of the oxygen on the surface region of Zry-4 a…

Radioactive element chemistry and processingNuclear Materials and PropertiesIon-surface interactions and analysis

Structures and Physical Properties of Carbon Nanotube Reinforced PVDF Composites

Gwang Ho Kim、Soon Man Hong2007-08-20Molecular Crystals and Liquid Crystals

Semicrystalline Poly(vinylidene fluoride)(PVDF)/Multi-walled carbon nanotube (MWNT) blends were melt compounded in an internal mixer. The relationships between structures and physical properties of PVDF/MWNT blends were studied. With increasing the content of MWNT, the apparent supercooling required for PVDF crystalli…

Carbon Nanotubes in CompositesAdvanced Sensor and Energy Harvesting MaterialsDielectric materials and actuators

Investigation of Porous Silicon Layers as Passivation Coatings for High Voltage Silicon Devices

D. Šalucha、A. Marcinkevičius2007-08-20Elektronika ir Elektrotechnika

The porous silicon layer as the passivation coating for high voltage devices is proposed. PS layers having different thickness and porosity were prepared and analyzed. The dependence of the thickness on the anodization time and the effect of current density and electrolyte composition on the porosity were determined a…

Silicon and Solar Cell TechnologiesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Modeling the resistance-temperature characteristic of a positive temperature coefficient thermistor, using experimentally determined permittivity data

Md. Abdullah Zubair、C. Leach2007-08-20Applied Physics Letters

The resistivity-temperature [ρ(T)] and current-voltage [j(V)] characteristics of a (Ba,Ca)TiO3 based donor/acceptor codoped positive temperature coefficient of resistivity thermistor have been analyzed in the context of the double Schottky barrier (DSB) model, using experimentally measured permittivity data. The best…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsDielectric properties of ceramics

Energy Transfer Pathway in Luminescent Lanthanide Complexes Based on Dansyl-N-methylaminobenzoic Acid through Intramolecular Charge Transfer State for Near Infrared Emission

Soo‐Gyun Roh2007-08-20Bulletin of the Korean Chemical Society

We have investigated the photophysical properties of dansyl-N-methylaminobenzoic acid (DABAH) as a ligand and its lanthanide (Ln3+)-cored complexes (Ln3+-(DABA)3(terpy)) in order to determine the main energy transfer pathway for sensitized near infrared emission of Ln3+ ions (Ln3+ = Nd3+ and Er3+) in Ln3+- (DABA)3(ter…

Organic Light-Emitting Diodes ResearchPhotochemistry and Electron Transfer StudiesLanthanide and Transition Metal Complexes