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Molecular Mechanisms Causing Anomalously High Thermal Expansion of Nanoconfined Water

Stephen H. Garofalini、Thiruvilla S. Mahadevan、Shuangyan Xu 等 4 位作者2008-09-11ChemPhysChem

Anomalously high thermal expansion is measured in water confined in nanoscale pores in amorphous silica and the molecular mechanisms are identified by molecular dynamics (MD) simulations using an accurate dissociative water potential. The experimentally measured coefficient of thermal expansion (CTE) of nanoconfined w…

Zeolite Catalysis and SynthesisPhase Equilibria and ThermodynamicsMaterial Dynamics and Properties

High-Resolution Raman Spectroscopy Study of Phonon Modes in LiBH4 and LiBD4

A.-M. Racu、J. Schoenes、Zbigniew Łodziana 等 5 位作者2008-09-11The Journal of Physical Chemistry A

We have performed micro Raman measurements on LiBH4 and LiBD4 powders for temperatures between 5 and 300 K. At the lowest temperature, the peak energies agree very well with the results of a calculation within the density functional theory for the orthorhombic structure. The spectra are dominated by three separated ba…

Hydrogen Storage and MaterialsQuantum, superfluid, helium dynamicsSuperconductivity in MgB2 and Alloys

Use of different alkylammonium salts in clay surface modification for epoxy‐based nanocomposites

Gül Ipek Nakaş、Cevdet Kaynak2008-09-11Polymer Composites

Abstract Layered silicates become widely used reinforcement material in the polymer nanocomposite production in recent years due to their high aspect ratio, ease of processing, and low cost. In this present study, the aim was to evaluate the usability of a raw clay source (Resadiye, Turkey) in the production of epoxy/…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingSilicone and Siloxane Chemistry

Dynamic Investigation of Gold Nanocrystal Assembly Using In Situ Grazing-Incidence Small-Angle X-ray Scattering

Darren R. Dunphy、Hongyou Fan、Xuefa Li 等 5 位作者2008-09-11Langmuir

Here we investigate the dynamic self-assembly pathway of ordered gold nanocrystal arrays during the self-assembly of gold nanocrystal micelles, with and without the presence of colloidal silica precursors, using grazing-incidence X-ray scattering performed at a synchrotron source. With silica precursors present, a lat…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Synthesis and characterization of multiwalled carbon nanotubes‐polymethyl methacrylate composites prepared by in situ polymerization method

Shailaja Pande、R.B. Mathur、Bhanu Pratap Singh 等 4 位作者2008-09-11Polymer Composites

Abstract Multiwalled carbon nanotubes‐polymethyl methacrylate composites (MWCNT‐PMMA) were prepared by an in situ polymerization method. The effect of nanotube content and their surface functionalization on the mechanical properties of the resulting nanocomposites was investigated. The use of only 1.8 wt% functionaliz…

Carbon Nanotubes in CompositesPolymer Nanocomposites and PropertiesNanotechnology research and applications

Epoxy‐ and polyester‐based composites reinforced with glass, carbon and aramid fabrics: Measurement of heat capacity and thermal conductivity of composites by differential scanning calorimetry

Volkan Çeçen、İsmail Tavman、Mediha Kök 等 4 位作者2008-09-11Polymer Composites

Abstract The primary purpose of the study is to investigate the temperature dependence of heat capacity and thermal conductivity of composites having different fiber/matrix combinations by means of heat‐flux differential scanning calorimetry (DSC). The materials used as samples in this study were epoxy‐ and polyester‐…

Thermal properties of materialsThermal and Kinetic Analysisthermodynamics and calorimetric analyses

Foamability of Detergent Solutions Prepared with Different Types of Surfactants and Waters

Maria Helena Amaral、José das Neves、Ângela Z. Oliveira 等 4 位作者2008-09-11Journal of Surfactants and Detergents

Abstract In the development of new detergent products, it is important to test the foaming behavior of different types of surfactants. Different types and concentrations of surfactant solutions prepared with three types of water are expected to present differences in their foamability. In this study, foam volumes prod…

Advanced Polymer Synthesis and CharacterizationSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Poly( L ‐lactide)/layered double hydroxides nanocomposites: Preparation and crystallization behavior

Pengju Pan、Bo Zhu、Tungalag Dong 等 4 位作者2008-09-11Journal of Polymer Science Part B Polymer Physics

Abstract Novel nanocomposites from poly( L ‐lactide) (PLLA) and an organically modified layered double hydroxide (LDH) were prepared using the melt‐mixing technique. The structure and crystallization behavior of these nanocomposites were investigated by means of wide‐angle X‐ray diffraction (WAXD), transmission electr…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisLayered Double Hydroxides Synthesis and Applications

New Insights into the Interactions between Dendrimers and Surfactants by Two Dimensional NOE NMR Spectroscopy

Yiyun Cheng、Yiwen Li、Qinglin Wu 等 4 位作者2008-09-11The Journal of Physical Chemistry B

The interactions between polyamidoamine dendrimers and different surfactants including sodium dodecyl sulfate (SDS) and dodecyltrimethyl ammonium bromide in aqueous solutions have been investigated by a NOESY NMR technique. Strong NOE cross-peaks between hydrophobic chain protons of SDS and methylene protons of cation…

Chemical Synthesis and AnalysisLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Evidence for Metal-Semiconductor Transitions in Twisted and Collapsed Double-Walled Carbon Nanotubes by Scanning Tunneling Microscopy

Cristina E. Giusca、Yann Tison、S. Ravi P. Silva2008-09-11Nano Letters

The atomic and electronic structure of a twisted and collapsed double-walled carbon nanotube was characterized using scanning tunneling microscopy and spectroscopy. It was found that the deformation opens an electronic band gap in an otherwise metallic nanotube, which has major ramifications on the use of carbon nanot…

Carbon Nanotubes in CompositesGraphene research and applicationsForce Microscopy Techniques and Applications

Origin of the Visible Light Absorption of GaN-Rich Ga1−x ZnxN1−xOx (x = 0.125) Solid Solution

Wei Wei、Ying Dai、Kesong Yang 等 5 位作者2008-09-11The Journal of Physical Chemistry C

The structure, electronic, and optical properties of GaN-rich Ga 1− x Zn x N 1− x O x ( x = 0.125) solid solution have been investigated systemically by means of density functional theory calculations (DFT) within the generalized gradient approximation (GGA). Our calculated results indicate that between the N 2p and Z…

ZnO doping and propertiesGaN-based semiconductor devices and materialsGa2O3 and related materials

Mechanistic Understanding of Rock/Phosphonate Interactions and the Effect of Metal Ions on Inhibitor Retention

Mason B. Tomson、Amy T. Kan、Gongmin Fu 等 7 位作者2008-09-11SPE Journal

Summary This paper discusses the effects of Ca2+, Mg2+, and Fe2+ on inhibitor retention and release. Better understanding of phosphonate reactions during inhibitor squeeze treatments has direct implication on how to design and improve scale inhibitor squeeze treatments for optimum scale control. Putting various amount…

Hydraulic Fracturing and Reservoir AnalysisCalcium Carbonate Crystallization and InhibitionMine drainage and remediation techniques

Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins

Eva G. Noya、M. M. Conde、Carlos Vega2008-09-11The Journal of Chemical Physics

The recently proposed Einstein molecule approach is extended to compute the free energy of molecular solids. This method is a variant of the Einstein crystal method of Frenkel and Ladd [J. Chem. Phys. 81, 3188 (1984)]. In order to show its applicability, we have computed the free energy of a hard-dumbbell solid, of tw…

Material Dynamics and PropertiesTheoretical and Computational Physicsnanoparticles nucleation surface interactions

Dispersion of functionalized silver nanoparticles in polymer matrices: Stability, characterization, and physical properties

Uma Chatterjee、Suresh K. Jewrajka、Suparna Guha2008-09-11Polymer Composites

Abstract Three types of silver/polymer nanocomposite films were prepared: (1) silver/polymethyl methacrylate, (2) silver/polystyrene, and (3) silver/polyt‐butyl methacrylate by mixing colloidal solution of functionalized Ag nanoparticles with solution of pre‐made polymers. The nanoparticles are randomly dispersed into…

Advanced Polymer Synthesis and CharacterizationPolymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and Irradiation

A theoretical and experimental study on manipulating the structure and properties of carbon nanotubes using substitutional dopants

Bobby G. Sumpter、Jingsong Huang、Vincent Meunier 等 7 位作者2008-09-11International Journal of Quantum Chemistry

Abstract We examine the possibility of controlling nanotube growth and simultaneously manipulating the nanotube properties by adding elements in minute amounts (such as nitrogen, phosphorous, and sulfur) that are different from carbon and the metal catalyst during the growth process. This procedure is shown to be capa…

Carbon Nanotubes in CompositesGraphene research and applicationsChemical and Physical Properties of Materials

Causality and electromagnetic properties of active media

Bertil Nistad、Johannes Skaar2008-09-11Physical Review E

Several results concerning active media or metamaterials are proved and discussed. In particular, we consider the permittivity, permeability, wave vector, and refractive index, and discuss stability, refraction, gain, and fundamental limitations resulting from causality.

Metamaterials and Metasurfaces ApplicationsElectromagnetic Scattering and AnalysisAdvanced Antenna and Metasurface Technologies

Sonochemical Synthesis of Cyclodextrin-Coated Quantum Dots for Optical Detection of Pollutant Phenols in Water

Haibing Li、Cuiping Han2008-09-11Chemistry of Materials

A simple, rapid sonochemical procedure for the preparation of highly fluorescent and water-soluble CdSe/ZnS quantum dots (QDs) using α-, β-, and γ-cyclodextrin (CD) as surface-coating agents is reported. The water-soluble QDs were characterized by luminescence spectroscopy, UV−vis spectroscopy, FT-IR spectroscopy, NMR…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesLuminescence and Fluorescent Materials

Broad-Band Electrical Conductivity of High Density Polyethylene Nanocomposites with Carbon Nanoadditives: Multiwall Carbon Nanotubes and Carbon Nanofibers

A. Linares、J. C. Canalda、M. E. Cagiao 等 8 位作者2008-09-11Macromolecules

A study is presented of the electrical properties of a series of nanocomposites based on high density polyethylene (HDPE) as a matrix and either carbon nanofiber (CNF) or multiwall carbon nanotube (MWCNT) as a nanoadditive. The measurements of the electrical conductivity over a broad-band of frequencies (10 −2 > F /Hz…

Carbon Nanotubes in CompositesAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Elucidation of the Structural Role of Fluorine in Potentially Bioactive Glasses by Experimental and Computational Investigation

Gigliola Lusvardi、Gianluca Malavasi、M. Cortada 等 7 位作者2008-09-11The Journal of Physical Chemistry B

Glasses belonging to the Na(2)O-CaO-P(2)O(5)-SiO(2) system and modified by CaF(2) substitution for CaO and Na(2)O alternatively, were synthesized and characterized experimentally and computationally. The results of molecular dynamics simulations show that fluorine is almost exclusively bonded to modifier cations (Ca a…

Bone Tissue Engineering MaterialsLuminescence Properties of Advanced MaterialsGlass properties and applications

Spatially Shifted Beam Approach to Subwavelength Focusing

Loïc Markley、Alex M. H. Wong、Yan Wang 等 4 位作者2008-09-11Physical Review Letters

Although negative-refractive-index metamaterials have successfully achieved subwavelength focusing, image resolution is limited by the presence of losses. In this Letter, a metal transmission screen with subwavelength spaced slots is proposed that focuses the near-field beyond the diffraction limit and, furthermore, i…

Antenna Design and AnalysisMetamaterials and Metasurfaces ApplicationsAdvanced Antenna and Metasurface Technologies