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Time-dependent embedding

J. E. Inglesfield2007-12-14arXiv

A method of solving the time-dependent Schrödinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an embedding term added on to the Hamiltonian. This time-dependent embedding term is d…

Materials Science

Electric self inductance of quasi-2D magnetic-dipolar-mode ferrite disks

M. Sigalov、E. O. Kamenetskii、R. Shavit2007-12-14arXiv

An electric current flowing around a loop produces a magnetic field and hence a magnetic flux through the loop. The ratio of the magnetic flux to the electric current is called the (magnetic) self inductance. Can there be a dual situation with a magnetic current flowing around a loop and producing an electric field an…

Mesoscale and Nanoscale PhysicsMaterials Science

Intrinsic optical bistability of thin films of linear molecular aggregates: The two-exciton approximation

Joost A. Klugkist、Victor A. Malyshev、Jasper Knoester2007-12-14arXiv

We generalize our recent work on the optical bistability of thin films of molecular aggregates [J. Chem. Phys. 127, 164705 (2007); arXiv:0707.1264v1 [cond-mat.dis-nn]] by accounting for the optical transitions from the one-exciton manifold to the two-exciton manifold as well as the exciton-exciton annihilation of the…

cond-mat.dis-nnMaterials Science

Polaron coherence condensation as the mechanism for colossal magnetoresistance in layered manganites

N. Mannella、Wanli Yang、Kiyohisa Tanaka 等 11 位作者2007-12-14Physical Review B

Angle-resolved photoemission spectroscopy data for the bilayer manganite ${\mathrm{La}}_{1.2}{\mathrm{Sr}}_{1.8}{\mathrm{Mn}}_{2}{\mathrm{O}}_{7}$ show that, upon lowering the temperature below the Curie point, a coherent polaronic metallic ground state emerges very rapidly with well-defined quasiparticles which track…

Electronic and Structural Properties of OxidesMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds

Electronic structures of CeRu$_2X_2$ ($X$ = Si, Ge) in the paramagnetic phase studied by soft X-ray ARPES and hard X-ray photoelectron spectroscopy

M. Yano、A. Sekiyama、H. Fujiwara 等 12 位作者2007-12-14arXiv

Soft and hard X-ray photoelectron spectroscopy (PES) has been performed for one of the heavy fermion system CeRu$_2$Si$_2$ and a $4f$-localized ferromagnet CeRu$_2$Ge$_2$ in the paramagnetic phase. The three-dimensional band structures and Fermi surface (FS) shapes of CeRu$_2$Si$_2$ have been determined by soft X-ray…

Strongly Correlated ElectronsMaterials Science

Highly Nonlinear Solitary Waves in Periodic Dimer Granular Chains

Mason A. Porter、Chiara Daraio、Eric B. Herbold 等 5 位作者2007-12-14arXiv

We report the propagation of highly nonlinear solitary waves in heterogeneous, periodic granular media using experiments, numerical simulations, and theoretical analysis. We examine periodic arrangements of particles in experiments in which stiffer/heavier beads (stainless steel) are alternated with softer/lighter one…

Soft Condensed MatterMaterials Sciencenlin.PS

Gold Nanoparticles With Special Shapes: Controlled Synthesis, Surface-enhanced Raman Scattering, and The Application in Biodetection

Jianqiang Hu、Zhouping Wang、Jinghong Li2007-12-14Sensors

Specially shaped gold nanoparticles have intrigued considerable attention becausethey usually possess high-sensitivity surface-enhanced Raman scattering (SERS) and thusresult in large advantages in trace biodetermination. In this article, starch-capped goldnanoparticles with hexagon and boot shapes were prepared throu…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesBiosensors and Analytical Detection

Colloidal Strategies for Preparing Oxide‐Based Hybrid Nanocrystals

Marianna Casavola、Raffaella Buonsanti、Gianvito Caputo 等 4 位作者2007-12-14European Journal of Inorganic Chemistry

Abstract Recent progress of colloidal chemistry in the synthesis of multimaterial nanostructures incorporating transition‐metal oxides is reviewed. Attention is focused on the emerging class of hybrid nanocrystals (HNCs), in which domains of different materials are interconnected through inorganic junctions in defined…

Quantum Dots Synthesis And PropertiesCopper-based nanomaterials and applicationsMesoporous Materials and Catalysis

Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model

Xin Wang、Catalin D. Spataru、Mark S. Hybertsen 等 4 位作者2007-12-14arXiv

The impact of electronic correlation in nanoscale junctions, e.g. formed by single molecules, is analyzed using the single-impurity Anderson model. Numerically exact Quantum Monte Carlo calculations are performed to map out the orbital filling, linear response conductance and spectral function as a function of the Cou…

Materials ScienceStrongly Correlated Electrons

Imaging the interface of epitaxial graphene with silicon carbide via scanning tunneling microscopy

Gregory M. Rutter、Nathan P. Guisinger、Jason Crain 等 8 位作者2007-12-14Physical Review B

Graphene grown epitaxially on SiC has been proposed as a material for carbon-based electronics. Understanding the interface between graphene and the SiC substrate will be important for future applications. We report the ability to image the interface structure beneath single-layer graphene using scanning tunneling mic…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchGraphene research and applications

Atomic Collapse and Quasi–Rydberg States in Graphene

A. V. Shytov、M. I. Katsnelson、Leonid Levitov2007-12-14Physical Review Letters

Charge impurities in graphene can host an infinite family of Rydberg-like resonance states of massless Dirac particles. These states, appearing for supercritical charge, are described by Bohr-Sommerfeld quantization of collapsing classical trajectories that descend on point charge, in analogy to the hydrogenic Rydberg…

Graphene research and applicationsTopological Materials and PhenomenaCarbon Nanotubes in Composites

Metallic graphene nanodisks: Electronic and magnetic properties

Motohiko Ezawa2007-12-14arXiv

We explore the electronic properties of finite-length graphene nanoribbons as well as graphene nanodisks with various sizes and shapes in quest of metallic ones. For this purpose, it is sufficient to search zero-energy states. We find that no zero-energy states exist in finite-length zigzag nanoribbons though all infi…

Graphene research and applicationsAdvancements in Battery MaterialsGraphene and Nanomaterials Applications

Diamonds are a Chemist's Best Friend: Diamondoid Chemistry Beyond Adamantane

H. Schwertfeger、Andrey A. Fokin、Peter R. Schreiner2007-12-14OpenAlex

Marilyn Monroe knew that "diamonds are a girl's best friend" but, in the meantime, many chemists have realized that they are also extremely attractive objects in contemporary chemistry. The chemist's diamonds are usually quite small (herein: nanometer-sized "diamondoids") and as a result of their unique structure are…

Diamond and Carbon-based Materials ResearchMolecular Junctions and NanostructuresCarbon Nanotubes in Composites

Assessing the Effect of Surface Chemistry on Gold Nanorod Uptake, Toxicity, and Gene Expression in Mammalian Cells

Tanya S. Hauck、Arezou A. Ghazani、Warren C. W. Chan2007-12-14OpenAlex

Through the use of various layer-by-layer polyelectrolyte (PE) coating schemes, such as the common poly(diallyldimethylammonium chloride)-poly(4-styrenesulfonic acid) (PDADMAC-PSS) system, the mammalian cellular uptake of gold nanorods can be tuned from very high to very low by manipulating the surface charge and func…

Nanoparticle-Based Drug DeliveryNanoparticles: synthesis and applicationsGold and Silver Nanoparticles Synthesis and Applications

Measurement of Scattering Rate and Minimum Conductivity in Graphene

Yan‐Wen Tan、Y. Zhang、Kirill I. Bolotin 等 9 位作者2007-12-14OpenAlex

The conductivity of graphene samples with various levels of disorder is investigated for a set of specimens with mobility in the range of $1--20\ifmmode\times\else\texttimes\fi{}{10}^{3}\text{ }\text{ }{\mathrm{cm}}^{2}/\mathrm{V}\text{ }\mathrm{sec}$. Comparing the experimental data with the theoretical transport cal…

Graphene research and applicationsElectron and X-Ray Spectroscopy TechniquesCarbon Nanotubes in Composites

Synthesis, Characterization, and In Vitro Photodynamic Activity of Novel Amphiphilic Zinc(II) Phthalocyanines Bearing Oxyethylene-Rich Substituents

Jianyong Liu、Xiong‐Jie Jiang、Wing‐Ping Fong 等 4 位作者2007-12-13Metal-Based Drugs

Three novel zinc(II) phthalocyanines substituted with one or two 3,4,5-tris(3,6,9-trioxadecoxy)benzoxy group(s) have been prepared and spectroscopically characterized. These compounds are highly soluble and remain nonaggregated in N,N-dimethylformamide. Upon excitation, they exhibit a relatively weak fluorescence emis…

Photodynamic Therapy Research StudiesPorphyrin and Phthalocyanine ChemistryNanoplatforms for cancer theranostics

A computational study of the impact of the Wiedemann–Franz–Lorenz law on the thermal response of nichrome cylinders

Partha P. Majumder、Abhijit Bhattacharyya2007-12-13Modelling and Simulation in Materials Science and Engineering

This paper reports an investigation of the impact of temperature-dependent electrical and thermal conductivities (as governed by the classical Weidemann?Franz?Lorenz law) on the thermal response of nickel?chromium (nichrome) alloy cylinders. The relationship between the conductivities and temperature for nichrome is s…

Shape Memory Alloy TransformationsMagnetic Properties and ApplicationsThermography and Photoacoustic Techniques

Effects of substitution degree of photoreactive groups on the properties of UV‐fabricated chitosan scaffold

Kai Ling、Fei Zheng、Junli Li 等 8 位作者2007-12-13Journal of Biomedical Materials Research Part A

Hydroxypropyl chitosan (HPCS), a water-soluble chitosan derivate, was modified by introducing photoreactive azide groups (4-azidobenzoic acid, Az-) to the amino groups of HPCS, resulting in a photocrosslinkable Az-HPCS. Novel porous chitosan scaffolds thus were fabricated by ultraviolet (UV) light irradiation of Az-HP…

Polymer Surface Interaction StudiesNanocomposite Films for Food PackagingElectrospun Nanofibers in Biomedical Applications

Crosslinking reaction mechanism of diisopropyl xanthogen polysulfide accelerator in bromobutyl elastomer for medical device applications

D. S. Ohbi、T S Purewal、Tahir Shah 等 4 位作者2007-12-13Journal of Applied Polymer Science

Abstract The use of an accelerator based on diisopropyl xanthogen polysulfide (DIXP) to formulate bromobutyl elastomer (BIIR‐DIXP) compositions for sealing medical devices was published in the Journal of Applied Polymer Science (Ohbi, D. S.; Pureval, T. S.; Shah, T.; Siores, E. 2007, 106, 526). In this publication, a…

Tribology and Wear AnalysisEpoxy Resin Curing ProcessesSynthesis and properties of polymers

Computational Study of the Small Zr(IV) Polynuclear Species

Niny Z. Rao、Marian N. Holerca、Vojislava Pophristic2007-12-13Journal of Chemical Theory and Computation

Despite widespread zirconium use ranging from nuclear technology to antiperspirants, important aspects of its solvation chemistry, such as the nature of small zirconium(IV) hydroxy cluster ions in aqueous solution, are not known due to the complexity of the zirconium aqueous chemistry. Using a combination of Car-Parri…

Inorganic Chemistry and MaterialsNuclear Materials and PropertiesRadioactive element chemistry and processing