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DFT Study of Planar Boron Sheets: A New Template for Hydrogen Storage

Süleyman Er、G. A. de Wijs、Geert Brocks2009-10-05The Journal of Physical Chemistry C

We study the hydrogen storage properties of planar boron sheets and compare them to those of graphene. The binding of molecular hydrogen to the boron sheet (0.05 eV) is stronger than that to graphene. We find that dispersion of alkali metal (AM = Li, Na, and K) atoms onto the boron sheet markedly increases hydrogen bi…

Boron and Carbon Nanomaterials ResearchGraphene research and applicationsHydrogen Storage and Materials

Electro-spinon in one-dimensional Mott insulator

Hosho Katsura、Masahiro Sato、Takashi Furuta 等 4 位作者2009-10-05arXiv

The low-energy dynamical optical response of dimerized and undimerized spin liquid states in a one-dimensional charge transfer Mott insulator is theoretically studied. An exact analysis is given for the low-energy asymptotic behavior using conformal field theory for the undimerized state. In the dimerized state, the i…

Strongly Correlated ElectronsMaterials Science

Simultaneous Nitrogen-Doping and Reduction of Graphene Oxide

Xiaolin Li、Hailiang Wang、Joshua T. Robinson 等 6 位作者2009-10-05arXiv

We develop a simple chemical method to obtain bulk quantities of N-doped, reduced graphene oxide (GO) sheets through thermal annealing of GO in ammonia. X-ray photoelectron spectroscopy (XPS) study of GO sheets annealed at various reaction temperatures reveals that N-doping occurs at a temperature as low as 300C, whil…

Materials Science

Comparatively High In-Field Critical Current in Type-II Superconductors from Heterogeneous Columnar Pins: A Molecular Dynamics Study

J. P. Rodriguez、E. J. Oswald2009-10-05arXiv

Theoretical work predicts that the strong dependence of Tc on pure shear strain within the a-b plane of optimally doped YBa2Cu3O{7-delta} results in heterogenous columnar pins of vortex lines about dislocation lines and about nano-columns inclusions aligned in parallel to the c axis. The critical current of a rigid vo…

Materials ScienceSuperconductivity

First Heterotrimetallic {3 d‐4 d‐4 f} Single Chain Magnet, Constructed from Anisotropic High‐Spin Heterometallic Nodes and Paramagnetic Spacers

Diana Visinescu、Augustin M. Mădălan、Marius Andruh 等 8 位作者2009-10-05Chemistry - A European Journal

Three in one: Heterotrimetallic 1D coordination polymers are designed by assembling heteronuclear nodes (see figure), {Cu2Ln}, with paramagnetic octacyanido-metallates, [M(CN)8]3− (M=Mo, W), acting as spacers. By choosing a strongly anisotropic lanthanide (DyIII), a new single chain magnet is obtained.

Organic and Molecular Conductors ResearchMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Production of nanoparticles using organisms

Hassan Korbekandi、Siavash Iravani、Sajjad Abbasi2009-10-05OpenAlex

Recent developments in the biosynthesis of nanomaterials have demonstrated the important role of biological systems and microorganisms in nanoscience and nanotechnology. These organisms show a unique potential in environmentally friendly production and accumulation of nanoparticles with different shapes and sizes. The…

Microbial Fuel Cells and BioremediationNanoparticles: synthesis and applicationsAlgal biology and biofuel production

Circumventing Tumor Resistance to Chemotherapy by Nanotechnology

Xing‐Jie Liang、Chunying Chen、Yuliang Zhao 等 4 位作者2009-10-05OpenAlex

Patient relapse and metastasis of malignant cells is very common after standard cancer treatment with surgery, radiation, and/or chemotherapy. Chemotherapy, a cornerstone in the development of present day cancer therapy, is one of the most effective and potent strategies to treat malignant tumors. However, the resista…

Graphene and Nanomaterials ApplicationsNanoparticle-Based Drug DeliveryNanoplatforms for cancer theranostics

Thermal boundary resistance predictions from molecular dynamics simulations and theoretical calculations

E. S. Landry、Alan J. H. McGaughey2009-10-05OpenAlex

The accuracies of two theoretical expressions for thermal boundary resistance are assessed by comparing their predictions to independent predictions from molecular dynamics (MD) simulations. In one expression $({R}_{E})$, the phonon distributions are assumed to follow the equilibrium, Bose-Einstein distribution, while…

Advanced Thermoelectric Materials and DevicesSemiconductor materials and interfacesThermal properties of materials

Dynamic Light Scattering as a Powerful Tool for Gold Nanoparticle Bioconjugation and Biomolecular Binding Studies

Hilde Jans、Xiong Liu、Lauren A. Austin 等 5 位作者2009-10-05OpenAlex

Dynamic light scattering (DLS) is an analytical tool used routinely for measuring the hydrodynamic size of nanoparticles and colloids in a liquid environment. Gold nanoparticles (GNPs) are extraordinary light scatterers at or near their surface plasmon resonance wavelength. In this study, we demonstrate that DLS can b…

Protein Interaction Studies and Fluorescence AnalysisGold and Silver Nanoparticles Synthesis and ApplicationsNanoparticle-Based Drug Delivery

Self-Assembly Strategies for Integrating Light Harvesting and Charge Separation in Artificial Photosynthetic Systems

Michael R. Wasielewski2009-10-05OpenAlex

In natural photosynthesis, organisms optimize solar energy conversion through organized assemblies of photofunctional chromophores and catalysts within proteins that provide specifically tailored environments for chemical reactions. As with their natural counterparts, artificial photosynthetic systems for practical so…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies

Anti-Icing Superhydrophobic Coatings

Liangliang Cao、Andrew K. Jones、Vinod K. Sikka 等 5 位作者2009-10-05OpenAlex

We use nanoparticle-polymer composites to demonstrate the anti-icing capability of superhydrophobic surfaces and report direct experimental evidence that such surfaces are able to prevent ice formation upon impact of supercooled water both in laboratory conditions and in natural environments. We find that the anti-ici…

Icing and De-icing TechnologiesSurface Modification and SuperhydrophobicitySmart Materials for Construction

Corrosion Inhibition of New 15 Chromium Tubulars in Acid Stimulation Fluids at High Temperatures

Joel Boles、Mingjie Ke、C. H. J. Parker2009-10-04SPE Annual Technical Conference and Exhibition

Abstract Over the past several years, a substantial increase in deep water exploration and production has brought new challenges to corrosion and material technology. The production environments in deep wells normally involve high temperature, high pressure, and sweet/sour gas. These severe conditions require corrosio…

Offshore Engineering and TechnologiesHydrogen embrittlement and corrosion behaviors in metalsCorrosion Behavior and Inhibition

Structural Analysis of Semi-specific Oligosaccharide Recognition by a Cellulose-binding Protein of Thermotoga maritima Reveals Adaptations for Functional Diversification of the Oligopeptide Periplasmic Binding Protein Fold

M.J. Cuneo、L.S. Beese、Homme W. Hellinga2009-10-04Journal of Biological Chemistry

Periplasmic binding proteins (PBPs) constitute a protein superfamily that binds a wide variety of ligands. In prokaryotes, PBPs function as receptors for ATP-binding cassette or tripartite ATP-independent transporters and chemotaxis systems. In many instances, PBPs bind their cognate ligands with exquisite specificity…

Glycosylation and Glycoproteins ResearchProtein Structure and DynamicsEnzyme Structure and Function

Unipolar Resistance Switching in Amorphous High-k dielectrics Based on Correlated Barrier Hopping Theory

Kui Li、Yidong Xia、Bo Xu 等 8 位作者2009-10-04arXiv

We have proposed a kind of nonvolatile resistive switching memory based on amorphous LaLuO3, which has already been established as a promising candidate of high-k gate dielectric employed in transistors. Well-developed unipolar switching behaviors in amorphous LaLuO3 make it suited for not only logic but memory applic…

cond-mat.otherMaterials Science

Surface Relief Gratings in Azobenzene‐Containing Polymers with Linear and Star‐Branched Architectures: A Comparison

Kati Gharagozloo‐Hubmann、Olga Kulikovska、Volker Börger 等 5 位作者2009-10-03Macromolecular Chemistry and Physics

Abstract The influence of molecular architecture on light‐induced SRG formation was investigated. Polymers with different degree of branching were synthesized by ATRP and functionalized with azobenzene chromophores. The polymers differ only in their architecture – linear, 4‐, 6‐, or 12‐arms stars. The photo‐induced di…

Liquid Crystal Research AdvancementsPhotochromic and Fluorescence ChemistryAdvanced Materials and Mechanics

Quasi-isothermal temperature-modulated differential scanning calorimetry (TMDSC) for the separation of reversible and irreversible thermodynamic changes in glass transition and melting ranges of flexible macromolecules

Bernhard Wunderlich2009-10-03Pure and Applied Chemistry

Abstract With standard differential scanning calorimetry (DSC), it is possible to derive calorimetric data for equilibrium or metastable samples. The introduction of temperature-modulated DSC (TMDSC) permits in its quasi-isothermal (non-scanning) mode (TMDC), long-time apparent heat capacity measurements of high preci…

thermodynamics and calorimetric analysesPolymer crystallization and propertiesMaterial Dynamics and Properties

Aspherical electron scattering factors and their parameterizations for elements from H to Xe

Jin‐Cheng Zheng、Lijun Wu、Yimei Zhu2009-10-03Journal of Applied Crystallography

The formalism for, and the values of, aspherical electron scattering factors using relativistic wavefunctions are presented. The parameterizations of electron form factors valid for a full range of scattering vectors from 0.0 to 6.0 Å −1 were obtained for atoms with atomic number 1 (H) to 54 (Xe) by fitting a linear c…

Electron and X-Ray Spectroscopy TechniquesSurface and Thin Film PhenomenaX-ray Diffraction in Crystallography

Determination of Hardness and Residual-Stress Variations in Hardened Surface Layers With Magnetic Barkhausen Noise

P. Zerovnik、Janez Grum、Gašper Žerovnik2009-10-03IEEE Transactions on Magnetics

We use magnetic Barkhausen noise to assess the microstructure, hardness, and residual stresses in hardened surface layers. We performed measurements on induction surface-hardened specimens, the thickness of hardened layers being different in each case. A change in the microstructure of the hardened surface layer produ…

Non-Destructive Testing TechniquesAdvanced Electrical Measurement TechniquesMagnetic Properties and Applications

A Molecular Dynamics Study of Two Apposing Polyelectrolyte Brushes with Mono‐ and Multivalent Counterions

Qianqian Cao、Chuncheng Zuo、Hongwei He 等 4 位作者2009-10-03Macromolecular Theory and Simulations

Abstract The conformational characteristics of polyelectrolytes end‐grafted on two apposing walls are studied. The monovalent and multivalent counterions are explicitly treated. It is found that the polyelectrolyte brushes undergo a collapse transition in the presence of multivalent counterions at large wall separatio…

Polymer Surface Interaction StudiesElectrostatics and Colloid InteractionsSurfactants and Colloidal Systems

Gemini‐Surfactant‐Directed Self‐Assembly of Monodisperse Gold Nanorods into Standing Superlattices

Andrés Guerrero‐Martínez、Jorge Pérez‐Juste、Enrique Carbó‐Argibay 等 5 位作者2009-10-03Angewandte Chemie

Die spontane Bildung selbstorganisierter hochgeordneter zwei- und dreidimensionaler Anordnungen aufrechter Nanostäbe auf großen Übergitterdomänen (siehe Bild) wird beschrieben. Die hexagonal dichte Packung der Nanostäbe senkrecht zum Substrat erinnert an flüssigkristalline Smektisch-B-Phasen. Optische Untersuchungen b…

Gold and Silver Nanoparticles Synthesis and ApplicationsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization