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Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory

Bryan M. Wong、Timothy H. Hsieh2010-12-20arXiv

The optoelectronic and excitonic properties in a series of linear acenes (naphthalene up to heptacene) are investigated using range-separated methods within time-dependent density functional theory (TDDFT). In these rather simple systems, it is well-known that TDDFT methods using conventional hybrid functionals surpri…

Chemical Physicsphysics.atm-clusMaterials Science

Oxygen ion diffusion in cation ordered/disordered GdBaCo 2 O 5 + δ

David Parfitt、A. Chroneos、Albert Tarancón 等 4 位作者2010-12-20Journal of Materials Chemistry

We use molecular dynamics in conjunction with an established set of Born model potentials to examine the oxygen ion diffusion mechanism in the double perovskite GdBaCo2O5+δ. We predict that the mechanism of oxygen diffusion is highly anisotropic diffusion occurring only in the Gd–O and adjacent Co–O layers. For GdBaCo…

Advanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materialsAdvancements in Solid Oxide Fuel Cells

CO Oxidation on Technological Pd−Al 2 O 3 Catalysts: Oxidation State and Activity

Katrin Zorn、Suzanne Giorgio、Erich Halwax 等 6 位作者2010-12-20The Journal of Physical Chemistry C

The specific CO oxidation activity of palladium versus palladium oxide is still controversially discussed. In this study, 5 wt. % Pd-γ-Al 2 O 3 catalysts were utilized to investigate the effect of the palladium oxidation state on the CO oxidation activity. Comprehensive in situ and ex situ characterization of differen…

Catalysis and Hydrodesulfurization StudiesCatalysis and Oxidation ReactionsCatalytic Processes in Materials Science

Structural changes evidenced by FTIR spectroscopy in cellulosic materials after pre-treatment with ionic liquid and enzymatic hydrolysis

Iuliana Spiridon、Carmen‐Alice Teacă、Ruxanda Bodîrlău2010-12-20BioResources

Attempts were made to enhance the hydrolysis of Asclepias syriaca (As) seed floss and poplar seed floss (PSF) by cellulase after pre-treatment with ionic liquids. Two ionic liquids, namely 1-butyl-3-methylimidazolium chloride [BMIM]Cl and 1-ethyl-3-methylimidazolium tetrachloroaluminate [EMIM]Cl-AlCl3, were used. In c…

Biofuel production and bioconversionAdvanced Cellulose Research StudiesLignin and Wood Chemistry

Woven Electrochemical Transistors on Silk Fibers

Christian Müller、Mahiar Max Hamedi、Roger H. Karlsson 等 7 位作者2010-12-20Advanced Materials

Woven electrochemical transistors on silk fibers from the silkworm Bombyx mori are demonstrated. This is achieved with carefully chosen electrolyte chem-istry: electrically conducting silk fibers are produced by dyeing silk fibers with a conjugated polyelectrolyte and gating is accomplished by use of an electro-lyte m…

Neurobiology and Insect Physiology ResearchSilk-based biomaterials and applicationsConducting polymers and applications

High efficiency electrical energy storage using a methane–oxygen solid oxide cell

David M. Bierschenk、J. R. Wilson、Scott A. Barnett2010-12-20Energy & Environmental Science

Reversible solid oxide cells (SOCs) are potentially useful for electrical energy storage due to their good storage scalability, but have not been seriously considered due to concerns over round-trip efficiency. Here we propose an SOC storage chemistry where the fuel cycles between H2O–CO2-rich and CH4–H2-rich gases. T…

Catalysis and Oxidation ReactionsAdvancements in Solid Oxide Fuel CellsElectronic and Structural Properties of Oxides

Optical properties of large-area polycrystalline chemical vapor deposited graphene by spectroscopic ellipsometry

Florence Nelson、Vimal Kamineni、Ting Zhang 等 6 位作者2010-12-20Applied Physics Letters

Spectroscopic ellipsometry was used to characterize the complex refractive index of chemical vapor deposition (CVD) graphene grown on copper foils and transferred to glass substrates. Two ellipsometers, with respective wavelength ranges extending into the ultraviolet and infrared (IR), have been used to characterize t…

Nonlinear Optical Materials StudiesGraphene research and applicationsPlasmonic and Surface Plasmon Research

Study of Superhydrophobic Electrospun Nanocomposite Fibers for Energy Systems

Ramazan Asmatulu、Muhammet Ceylan、Nurxat Nuraje2010-12-20Langmuir

Polystyrene (PS) and polyvinyl chloride (PVC) fibers incorporated into TiO(2) nanoparticles and graphene nanoflakes were fabricated by an electrospinning technique, and then the surface morphology and superhydrophobicity of these electrospun nanocomposite fibers were investigated. Results indicated that the water cont…

Electrospun Nanofibers in Biomedical ApplicationsSurface Modification and SuperhydrophobicityFiber-reinforced polymer composites

Shear Banding and Flow-Concentration Coupling in Colloidal Glasses

R. Besseling、Lucio Isa、Pierre Ballesta 等 6 位作者2010-12-20Physical Review Letters

We report experiments on hard-sphere colloidal glasses that show a type of shear banding hitherto unobserved in soft glasses. We present a scenario that relates this to an instability due to shear-concentration coupling, a mechanism previously thought unimportant in these materials. Below a characteristic shear rate $…

Phase Equilibria and ThermodynamicsPickering emulsions and particle stabilizationMaterial Dynamics and Properties

Flame Retardancy and Thermal Degradation of Intumescent Flame Retardant Poly(lactic acid)/Starch Biocomposites

Xin Wang、Yuan Hu、Lei Song 等 7 位作者2010-12-20Industrial & Engineering Chemistry Research

Intumescent flame-retardant poly(lactic acid)/starch (PLA/starch) biocomposites were prepared by means of melt blending. Microencapsulated ammonium polyphosphate (MCAPP) was added to the PLA/starch biocomposites not only to improve its flame retardancy but also to restrain the reaction between ammonium polyphosphate a…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisFlame retardant materials and properties

A simple and efficient method to prepare graphene by reduction of graphite oxide with sodium hydrosulfite

Tiannan Zhou、Feng Chen、Kai Liu 等 7 位作者2010-12-20Nanotechnology

Inspired by an ancient reducing method used in textile production, sodium hydrosulfite was used to reduce graphite oxide as an efficient reducing agent in our work. The reduced materials were characterized by x-ray photoelectron spectroscopy, thermogravimetric analysis, wide-angle x-ray scattering, Raman spectroscopy,…

Graphene research and applicationsAdvancements in Battery MaterialsGraphite, nuclear technology, radiation studies

Electron-Phonon Renormalization of the Direct Band Gap of Diamond

Feliciano Giustino、Steven G. Louie、Marvin L. Cohen2010-12-20OpenAlex

We calculate from first principles the temperature-dependent renormalization of the direct band gap of diamond arising from electron-phonon interactions. The calculated temperature dependence is in good agreement with spectroscopic ellipsometry measurements, and the zero-point renormalization of the band gap is found…

Semiconductor materials and devicesDiamond and Carbon-based Materials ResearchHigh-pressure geophysics and materials

Handbook of Surface and Nanometrology

David J. Whitehouse2010-12-20OpenAlex

Since the publication of the first edition, miniaturization and nanotechnology have become inextricably linked to traditional surface geometry and metrology. This interdependence of scales has had profound practical implications.Updated and expanded to reflect many new developments, Handbook of Surface and Nanometrolo…

Diatoms and Algae ResearchMaterial Selection and Properties

High concentration few-layer graphene sheets obtained by liquid phase exfoliation of graphite in ionic liquid

Daniele Nuvoli、Luca Valentini、Valeria Alzari 等 8 位作者2010-12-20arXiv

In the present work, the use of a commercial ionic liquid as a convenient solvent medium for graphite exfoliation in mild and easy conditions without any chemical modification is presented. To confirm the presence of few layer graphene, its dispersion, which exhibits Tyndall effect, was characterized by Raman and UV s…

Graphene research and applicationsCarbon Nanotubes in CompositesFiber-reinforced polymer composites

Chemical functionalization of graphene sheets by solvothermal reduction of a graphene oxide suspension in N-methyl-2-pyrrolidone

Viet Hung Pham、Trần Viết Cường、Seung Hyun Hur 等 7 位作者2010-12-20OpenAlex

We report a simple and effective method for reducing and functionalizing graphene oxide into chemically converted graphene by solvothermal reduction of a graphene oxide suspension in N-methyl-2-pyrrolidone (NMP). Graphene oxide sheets were functionalized by free radicals generated during heating of NMP in the presence…

Graphene and Nanomaterials ApplicationsAdvancements in Battery MaterialsGraphene research and applications

Design and tailoring of a hierarchical graphene-carbon nanotube architecture for supercapacitors

Shin‐Yi Yang、Kuo‐Hsin Chang、Hsi-Wen Tien 等 9 位作者2010-12-20OpenAlex

Stacking of individual graphene sheets (GS) is effectively inhibited by introducing one-dimensional carbon nanotubes (CNTs) to form a 3-D hierarchical structure which significantly enhances the electrochemical capacitive performances of GS-based composites. From SEM images, inserting proper quantity of CNTs as nanospa…

Supercapacitor Materials and FabricationAdvancements in Battery MaterialsGraphene research and applications

Reduced graphene oxide as a catalyst for hydrogenation of nitrobenzene at room temperature

Gao Y、Ding Ma、Chunlei Wang 等 5 位作者2010-12-20OpenAlex

Reduced graphene oxide was used as a catalyst for reduction of nitrobenzene at room temperature. High catalytic activity and stability were exhibited in circular experiments. The catalytic procedure was in situ monitored by NMR and N-phenylhydroxylamine was proved to be the intermediate in this catalytic reaction.

Advancements in Battery MaterialsNanomaterials for catalytic reactionsGraphene research and applications

Coaxial electrospinning and emulsion electrospinning of core–shell fibers

Alexander L. Yarin2010-12-20OpenAlex

Abstract The mini‐review is devoted to coaxial electrospinning (co‐electrospinning, emulsion electrospinning), a group of novel methods for making core–shell nanofibers and hollow nanotubes. The physical aspects of the process are described in brief, in particular, its modeling and possible drawbacks of the process re…

Conducting polymers and applicationsAdvanced Sensor and Energy Harvesting MaterialsElectrospun Nanofibers in Biomedical Applications

Specific Detection of d-Glucose by a Tetraphenylethene-Based Fluorescent Sensor

Yi Liu、Chunmei Deng、Li Tang 等 7 位作者2010-12-20OpenAlex

A conceptually new "light-up" biosensor with a high specificity for d-glucose (Glu) in aqueous media has been developed. The emission from a tetraphenylethene (TPE)-cored diboronic acid (1) was greatly boosted when the fluorogen was oligomerized with Glu because of restriction of the intramolecular rotations of the ar…

Polydiacetylene-based materials and applicationsLuminescence and Fluorescent MaterialsMolecular Sensors and Ion Detection

EXTRACTION AND PARTIAL CHARACTERIZATION OF COLLAGEN FROM DIFFERENT ANIMAL SKINS

Sadaf Quereshi、Ashok Mhaske、Disha Raut 等 6 位作者2010-12-19Recent Research in Science and Technology

Collagen is a wonder triple helix fibrous protein. Basically, it connects and supports other bodily tissues, such as skin, bone, tendons, muscles and cartilage. In fact, it makes up about 25% of the total amount of proteins. Collagen possesses great tensile strength. In the present investigation, three methods of coll…

dental development and anomaliesBone and Dental Protein StudiesCollagen: Extraction and Characterization