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Energetics of small hydrogen–vacancy clusters in bcc iron

Erin Hayward、Chaitanya Deo2011-10-07Journal of Physics Condensed Matter

Hydrogen may be trapped in voids in iron, leading to undesirable material properties. In this paper, the energetics of small hydrogen-vacancy clusters in body centered cubic iron are investigated. Results from two interatomic potentials are compared. We use molecular dynamics and Monte Carlo methods to find the minimu…

Fusion materials and technologiesHydrogen embrittlement and corrosion behaviors in metalsNuclear Materials and Properties

Chiral 1,2-Subnaphthalocyanines

Soji Shimizu、Akito Miura、Samson Khene 等 5 位作者2011-10-07Journal of the American Chemical Society

Following the first suggestion of inherent molecular chirality in asymmetrically substituted subphthalocyanines by Torres and co-workers in 2000, elucidation of the relationship between structure and chirality has become an important issue. However, separation of the enantiomers has been prevented by the low solubilit…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanisms

F. Calvo、Jonathan P. K. Doye、David J. Wales2011-10-07Nanoscale

New experiments involving direct observation of colloidal clusters by optical microscopy promise to deliver a wealth of new information about such systems. Calculations suggest that some of the observable properties may be predicted using a simple pairwise potential to represent the interparticle forces, but in a rang…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesAdvanced Thermodynamics and Statistical Mechanics

Functional Platform for Controlled Subcellular Distribution of Carbon Nanotubes

Maged F. Serag、Kaji, Noritada、Enrica Venturelli 等 10 位作者2011-10-07ACS Nano

As nanoparticles can cross different cellular barriers and access different tissues, control of their uptake and cellular fate presents a functional approach that will be broadly applicable to nanoscale technologies in cell biology. Here we show that the trafficking of single-walled carbon nanotubes (SWCNTs) through v…

Carbon Nanotubes in CompositesNanoparticles: synthesis and applicationsGraphene and Nanomaterials Applications

Noncovalent Interaction of Single-Walled Carbon Nanotubes with 1-Pyrenebutanoic Acid Succinimide Ester and Glucoseoxidase

V. А. Karachevtsev、S. G. Stepanian、A. Glamazda 等 7 位作者2011-10-07The Journal of Physical Chemistry C

Peculiarities of the interface interactions of 1-pyrenebutanoic acid N -hydroxysuccinimide ester (PSE) with single-walled carbon nanotubes (SWCNTs) and enzyme glucoseoxidase (GOX) have been studied with the resonance Raman spectroscopy and theoretical calculations employing the DFT method and the molecular dynamics (M…

Carbon Nanotubes in CompositesElectrochemical sensors and biosensorsPorphyrin and Phthalocyanine Chemistry

Electric field mediated assembly of three dimensional equilibrium colloidal crystals

Jaime J. Juárez、Sarah E. Feicht、Michael A. Bevan2011-10-07Soft Matter

We report confocal laser scanning microscopy (CLSM) measurements, Monte Carlo (MC) simulations, and an analytical model of the assembly of three dimensional (3D) equilibrium colloidal crystals within quadrupole electrodes on microscope cover slip surfaces. Micron sized fluorescent silica colloids in an index matching…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesSpectroscopy and Quantum Chemical Studies

Effect of cationic polymethacrylates on the rheology and flocculation of microfibrillated cellulose

Anni Karppinen、Arja‐Helena Vesterinen、Tapio Saarinen 等 5 位作者2011-10-07Cellulose

Using two cationic methacrylate polymers: poly([2-(methacryloyloxy)ethyl] trimethyl ammonium iodide) (PDMQ) and poly[(stearyl methacrylate)- stat -([2-(methacryloyloxy)ethyl] trimethyl ammonium iodide)] (PSMA13Q), we modified microfibrillated cellulose (MFC) water suspensions. The aim was to affect the flocculation an…

Advanced Cellulose Research Studiesbiodegradable polymer synthesis and propertiesLignin and Wood Chemistry

Antimicrobial activity of chitosan nanofibers obtained by electrospinning

A.P. Martínez-Camacho、Mario Onofre Cortez‐Rocha、M.M. Castillo-Ortega 等 6 位作者2011-10-07Polymer International

Abstract Chitosan is a natural polymer with both antimicrobial activity and nanofiber‐forming capability. The electrospinning technique allows the production of chitosan nanofibers but still faces several problems such as the small number of suitable solvents for the process and the large number of factors affecting q…

Nanocomposite Films for Food PackagingConducting polymers and applicationsElectrospun Nanofibers in Biomedical Applications

Synthesis and Visualization of a Core Cross-Linked Star Polymer Carrying Optically Active Rigid-Rod Helical Polyisocyanide Arms and Its Chiral Recognition Ability

Toshitaka Miyabe、Hiroki Iida、Motonori Banno 等 5 位作者2011-10-07Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTSynthesis and Visualization of a Core Cross-Linked Star Polymer Carrying Optically Active Rigid-Rod Helical Polyisocyanide Arms and Its Chiral Recognition AbilityToshitaka Miyabe, Hiroki Iida, Motonori Banno, Tomoko Yamaguchi, and Eiji Yashima*View Author Information Department…

Synthesis and Properties of Aromatic CompoundsPhotochromic and Fluorescence ChemistryPolydiacetylene-based materials and applications

Structure of Peptides on Metal Oxide Surfaces Probed by NMR

Peter A. Mirau、Rajesh R. Naik、Patricia Gehring2011-10-07Journal of the American Chemical Society

Peptides that bind inorganic surfaces and template the formation of nanometer-sized inorganic particles are of great interest for the self- or directed assembly of nanomaterials for sensors and diagnostic applications. These surface-recognizing peptides can be identified from combinatorial phage-display peptide librar…

Advanced biosensing and bioanalysis techniquesAdvanced Proteomics Techniques and ApplicationsDiatoms and Algae Research

The Effect of Topography on Differentiation Fates of Matrigel-Coated Mouse Embryonic Stem Cells Cultured on PLGA Nanofibrous Scaffolds

Mohammad Massumi、Mozhgan Abasi、Hamideh Babaloo 等 9 位作者2011-10-07Tissue Engineering Part A

Due to pluripotency of embryonic stem (ES) cells, these cells are an invaluable in vitro model that investigates the influence of different physical and chemical cues on differentiation/development pathway of specialized cells. We sought the effect of roughness and alignment, as topomorpholocial properties of scaffold…

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

Phase Stability and Permeation Behavior of a Dead-End Ba0.5Sr0.5Co0.8Fe0.2O3−δTube Membrane in High-Purity Oxygen Production

Fangyi Liang、Heqing Jiang、Huixia Luo 等 5 位作者2011-10-07Chemistry of Materials

Phase stability and oxygen permeation behavior of Ba 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 3−δ (BSCF) dead-end tube membranes were investigated in long-term oxygen production at 950 and 750 °C. At 950 °C, the BSCF tube membranes exhibit good long-term phase stability and a stable oxygen permeation flux. However, at the intermedi…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Relaxations and Rheology near Jamming

Brian P. Tighe2011-10-07Physical Review Letters

We determine the form of the complex shear modulus G* in soft sphere packings near jamming. Viscoelastic response at finite frequency is closely tied to a packing's intrinsic relaxational modes, which are distinct from the vibrational modes of undamped packings. We demonstrate and explain the appearance of an anomalou…

Material Dynamics and PropertiesForce Microscopy Techniques and ApplicationsMechanical and Optical Resonators

Mapping the Density of Scattering Centers Limiting the Electron Mean Free Path in Graphene

Filippo Giannazzo、Sushant Sonde、Raffaella Lo Nigro 等 5 位作者2011-10-07Nano Letters

Recently, giant carrier mobility μ (>10(5) cm(2) V(-1) s(-1)) and micrometer electron mean free path (l) have been measured in suspended graphene or in graphene encapsulated between inert and ultraflat BN layers. Much lower μ values (10000-20000 cm(2) V(-1) s(-1)) are typically reported in graphene on common substrate…

Carbon Nanotubes in CompositesGraphene research and applicationsGraphene and Nanomaterials Applications

The mechanism for hydrothermal growth of zinc oxide

Nathan Johann Nicholas、George V. Franks、William A. Ducker2011-10-07CrystEngComm

The mechanism for hydrothermal growth of ZnO was studied in ammonium hydroxide solution at pH near 11 (0.3 M NH4OH). The products formed at 20–90 °C and ambient pressure were characterised using Fourier Transform Infrared Spectroscopy (FTIR), X-ray Photon Spectroscopy (XPS), X-ray Diffraction (XRD) and Secondary Ion M…

ZnO doping and propertiesMercury impact and mitigation studiesCopper-based nanomaterials and applications

Dihydrogen Addition in a Dinuclear Rare-Earth Metal Hydride Complex Supported by a Metalated TREN Ligand

Ajay Venugopal、Waldemar Fegler、Thomas P. Spaniol 等 5 位作者2011-10-07Journal of the American Chemical Society

The dinuclear lutetium dihydride dication supported by metalated tripodal ligands undergoes facile hydrogenolysis with H(2) to form a trihydride dication. Molecular orbital analysis shows that the LUMO is a bonding Lu···Lu orbital that is poised to activate dihydrogen.

Hydrogen Storage and MaterialsCarbon dioxide utilization in catalysisAmmonia Synthesis and Nitrogen Reduction

Effect of AZO seed layer on electrochemical growth and optical properties of ZnO nanorod arrays on ITO glass

Hee Kwan Lee、Myung Sub Kim、Jae Su Yu2011-10-07Nanotechnology

We report the structural and optical properties of ZnO nanorod arrays (NRAs) grown by an electrochemical deposition process. The ZnO NRAs were grown on indium tin oxide (ITO) coated glass substrates with a thin sputtered Al-doped ZnO (AZO) seed layer and compared with ones directly grown without the seed layer. The gr…

ZnO doping and propertiesPerovskite Materials and ApplicationsGa2O3 and related materials

Exciton radiative properties in nonpolar homoepitaxial ZnO/(Zn,Mg)O quantum wells

Luc Beaur、T. Bretagnon、B. Gil 等 9 位作者2011-10-07Physical Review B

Photoluminescence spectra of nonpolar $M$-plane ZnO/Zn${}_{0.8}$Mg${}_{0.2}$O quantum wells exhibit strong excitonic peaks from low (10 K) to high (325 K) temperatures. We find that the total integrated intensity remains quasiconstant and that the exciton lifetime increases linearly with the temperature from a value o…

ZnO doping and propertiesPerovskite Materials and ApplicationsGa2O3 and related materials

Influence of Polyethyleneimine and Ammonium on the Growth of ZnO Nanowires by Hydrothermal Method

Liang‐Yih Chen、Yu‐Tung Yin、Ching‐Hsiang Chen 等 4 位作者2011-10-07The Journal of Physical Chemistry C

In this study, ZnO nanowire arrays were prepared using a hydrothermal method. During growth, polyethyleneimine (PEI) and ammonia were added to adjust the structure and optical properties of the ZnO nanowires. Emission analysis revealed visible photoluminescence emissions from ZnO nanowires produced under various growt…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Chirality in Gold Nanoclusters Probed by NMR Spectroscopy

Huifeng Qian、Manzhou Zhu、Chakicherla Gayathri 等 5 位作者2011-10-07ACS Nano

We report the analysis of chirality in atomically precise gold nanoclusters by nuclear magnetic resonance (NMR) spectroscopic probing of the surface ligands. The Au(38)(SR)(24) and Au(25)(SR)(18) (where, R = CH(2)CH(2)Ph) are used as representative models for chiral and nonchiral nanoclusters, respectively. Interestin…

Random Matrices and ApplicationsNanocluster Synthesis and ApplicationsPharmacological Effects and Toxicity Studies