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Density Functional Study of the 13C NMR Chemical Shifts in Single-Walled Carbon Nanotubes with Stone−Wales Defects

Eva Zurek、Chris J. Pickard、Jochen Autschbach2008-07-11The Journal of Physical Chemistry C

The 13 C NMR chemical shifts of (7,0), (8,0), (9,0), and (10,0) single-walled carbon nanotubes (SWNTs) with Stone−Wales (SW) defects have been studied computationally using a gauge-including projector-augmented plane-wave (GIPAW) density functional theory (DFT) method. A SW-defect substantially broadens the NMR signal…

Carbon Nanotubes in CompositesGraphene research and applicationsAdvanced NMR Techniques and Applications

Synthesis and crystal structures of lanthanide complexes with foliage growth regulator: phenoxyalkanoic acid

Shao‐Ming Shi、Zhen‐Feng Chen、Yan‐Cheng Liu 等 6 位作者2008-07-11Journal of Coordination Chemistry

Reactions of Ln(ClO4)3 · 6H2O (Ln=La(III), Eu(III), Nd(III)), 1,10-phenanthroline (phen) and phenoxyacetic acid (PA) or 2,4-dichlorophenoxyacetic acid (2,4-D) yield [La(PA)2 (phen)2]2(ClO4)2 (1), [Eu(2,4-D)2(phen)2]2(ClO4)2 (2) and [Nd(2,4-D)3(C2H5OH)] n (3). Compounds 1–3 are characterized by elemental analyses, IR,…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Durability of the wettability properties of a polypropylene film with a low‐pressure CH4–O2 plasma treatment

D. Garcia、O. Fenollar、R. López 等 5 位作者2008-07-11Journal of Applied Polymer Science

Abstract The aim of this work was to study the durability of a polypropylene film plasma‐treated with an 80 : 20 methane–oxygen gas mixture. Three different storage conditions were used to evaluate the influence of the relative humidity and temperature on the aging process. The surface functionalization of the polypro…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsDiamond and Carbon-based Materials Research

Europium(III) Reduction and Speciation within a Wells−Dawson Heteropolytungstate

Jing Jing、Benjamin P. Burton‐Pye、Lynn C. Francesconi 等 4 位作者2008-07-11Inorganic Chemistry

The redox speciation of Eu(III) in the 1:1 stoichiometric complex with the alpha-1 isomer of the Wells-Dawson anion, [alpha-1-P 2W 17O 61] (10-), was studied by electrochemical techniques (cyclic voltammetry and bulk electrolysis), in situ XAFS (X-ray absorption fine structure) spectroelectrochemistry, NMR spectroscop…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsVanadium and Halogenation Chemistry

Relaxor ferroelectric behavior in Ca-dopedTbMnO3

Nandang Mufti、Agustinus Agung Nugroho、Graeme R. Blake 等 4 位作者2008-07-11Physical Review B

We have studied the effect of Ca-doping in single-crystal ${\text{Tb}}_{1\ensuremath{-}x}{\text{Ca}}_{x}{\text{MnO}}_{3}(x\ensuremath{\le}0.1)$ on the crystal and magnetic structure, magnetocapacitance, and electric polarization. For low doping $(x=0.05)$, the presence of ${\text{Mn}}^{4+}$ ions gives rise to a state…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsMultiferroics and related materials

Effect of the Air−Water Interface on the Structure of Lysozyme in the Presence of Guanidinium Chloride

Adam W. Perriman、Mark J. Henderson、Christian Evenhuis 等 5 位作者2008-07-11The Journal of Physical Chemistry B

We report observations of the changes in the surface structure of lysozyme adsorbed at the air-water interface produced by the chemical denaturant guanidinium chloride. A primary result is the durability of the adsorbed surface layer to denaturation, as compared to the molecule in the bulk solution. Data on the surfac…

Protein Structure and DynamicsProtein purification and stabilityEnzyme Structure and Function

Enhancement at the Junction of Silver Nanorods

Geun Hoi Gu、Jung Sang Suh2008-07-11Langmuir

The enhancement of surface enhanced Raman scattering (SERS) at the junction of linearly joined silver nanorods (31 nm in diameter) deposited in the pores of anodic aluminum oxide templates was studied systematically by excitation with a 632.8 nm laser line. The single and joined silver nanorod arrays showed a similar…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchAnodic Oxide Films and Nanostructures

The competition of double-, four-, and three-ring tubular B3n (n=8–32) nanoclusters

Fuyang Tian、Yuanxu Wang2008-07-11The Journal of Chemical Physics

The geometry and electronic properties of three-ring tubular B(3n) clusters (n = 8-32) are studied systematically with the density functional theory. It is composed of three staggered rings with the diameter of the middle ring larger than those of the two outer rings. With the increase in boron atom numbers, the three…

Microstructure and mechanical propertiesBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials

Polarization-Dependent Surface Enhanced Raman Scattering from Silver 1D Nanoparticle Arrays

Wei Luo、Wytze van der Veer、Ping Chu 等 6 位作者2008-07-11The Journal of Physical Chemistry C

Arrays of linear, one-dimensional (1D) silver nanoparticle rows have been synthesized that demonstrate strong surface enhanced Raman scattering (SERS) that is dependent on the polarization of the incident electromagnetic radiation. Ordered arrays of 1D rows of spherical silver nanoparticles were fabricated on highly o…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchQuantum Dots Synthesis And Properties

Water Vapor Permeability, Mechanical Properties and Antioxidant Effect of Mexican Oregano–Soy Based Edible Films

Edel Pruneda、Juan M. Peralta‐Hernández、Karen Esquivel 等 6 位作者2008-07-11Journal of Food Science

Water-soluble extracts from Mexican oregano (Lippia graveolens) were incorporated into soy protein isolate (SPI) films. Water vapor permeability, mechanical properties, and antioxidant ability were evaluated. All the extracts were capable of scavenging DPPH radicals in a concentration-dependent fashion; the IC50 value…

Phytochemicals and Antioxidant ActivitiesPostharvest Quality and Shelf Life ManagementNanocomposite Films for Food Packaging

A Theoretical Study on the Electronic Structure of ZnSe/ZnS and ZnS/ZnSe Core/Shell Nanoparticles

Biplab Goswami、Sougata Pal、Pranab Sarkar2008-07-11The Journal of Physical Chemistry C

By making use of a density-functional tight-binding (DFTB) method we studied the electronic and optical properties of ZnSe/ZnS and ZnS/ZnSe core/shell nanoparticles. Our emphasis will be on the atomic charge distribution, electronic energy levels, band gap, excitation spectra, and their variation with the thickness of…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Nanostructured Ultrathin Films of Alternating Sexithiophenes and Electropolymerizable Polycarbazole Precursor Layers Investigated by Electrochemical Surface Plasmon Resonance (EC-SPR) Spectroscopy

Saengrawee Sriwichai、Akira Baba、Suxiang Deng 等 6 位作者2008-07-11Langmuir

Nanostructured ultrathin films of linear and dendrimeric cationic sexithiophenes, 6TNL and 6TND, respectively, alternated with anionic polycarbazole precursor, poly(2-( N-carbazolyl) ethyl methacrylate- co-methacrylic acid) or PCEMMA32, were successfully fabricated using the layer-by-layer self-assembly deposition tec…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures

Effects of Preparation Conditions on the Growth of ZnO Nanorod Arrays Using Aqueous Solution Method

Sea‐Fue Wang、Tseung‐Yuen Tseng、Yuh‐Ruey Wang 等 6 位作者2008-07-11International Journal of Applied Ceramic Technology

In this study, ZnO nanorod arrays were synthesized on a seeded substrate using the aqueous solution method. The growth rate, morphology, and crystallinity of ZnO nanorods were controlled by tailoring various process parameters and the [Zn(NO 3 ) 2 ]/[C 6 H 12 N 4 ] ratio. A high density of ZnO nanorods with well‐defin…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Wing Shape Control through an SMA-Based Device

G. C. Barbarino、Salvatore Ameduri、Leonardo Lecce 等 4 位作者2008-07-11Journal of Intelligent Material Systems and Structures

Based on numerical and experimental analyses, this article proposes an application of the smart structure concept aimed at realizing a bump on an airfoil profile, finalized to reduce transonic drag, through the use of shape memory alloys (SMAs). The ability of morphing the wing profile is functional to maximize the ae…

Shape Memory Alloy TransformationsAeroelasticity and Vibration ControlTopology Optimization in Engineering

Coalescence and Interface Diffusion in Linear CdTe/CdSe/CdTe Heterojunction Nanorods

Bonil Koo、Brian A. Korgel2008-07-11Nano Letters

Colloidal nanorods with linear CdTe/CdSe/CdTe heterojunctions were synthesized by sequential reactant injection. After CdTe deposition at the ends of initially formed CdSe nanorods, continued heating in solution leads to Se-Te interdiffusion across the heterojunctions and coalescence to decreased aspect ratio. The Se-…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Incorporation of Inorganic Nanoparticles into Mesoporous Carbons Synthesized by Soft Templating

Mietek Jaroniec2008-07-11The Journal of Physical Chemistry C

Mesoporous carbon monoliths with embedded alumina and silica nanoparticles were synthesized using phloroglucinol and formaldehyde as carbon precursors and poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymer as a soft template. While the carbon mesostructure was not significantly affected by…

Supercapacitor Materials and FabricationMesoporous Materials and CatalysisCovalent Organic Framework Applications

Design and fabrication of diverse metamaterial structures by holographic lithography

Yi Yang、Qiuze Li、Guo Ping Wang2008-07-11Optics Express

We demonstrate a holographic lithography for the fabrication of diverse metamaterial structures by using an optical prism. Cylindrical nanoshells, U-shaped resonator arrays, and double-split ring arrays are obtained experimentally by real time modulating the phase relation of the interference beams. This easy-to-use m…

Metamaterials and Metasurfaces ApplicationsMicrowave Engineering and WaveguidesAdvanced Antenna and Metasurface Technologies

Chemisorption-induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n− (n = 4−9)

Hua‐Jin Zhai、Li-Li Pan、Bing Dai 等 6 位作者2008-07-11The Journal of Physical Chemistry C

The interactions of CO with gold clusters are essential to understanding the catalytic mechanisms of CO oxidation on supported gold nanoparticles. Here we report a photoelectron spectroscopy and theoretical study of CO adsorption on a well-defined Au 6 − cluster in Au 6 (CO) n − ( n = 4−9). Previous studies have shown…

Catalytic Processes in Materials ScienceQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Nanocomposite particles with core‐shell morphology. I. Preparation and characterization of Fe3O4–poly(butyl acrylate‐styrene) particles via miniemulsion polymerization

Ali Reza Mahdavian、Mohsen Ashjari、Hamid Salehi Mobarakeh2008-07-11Journal of Applied Polymer Science

Abstract Colloidal particles with magnetic properties have become increasingly important both technologically and for fundamental studies. Here, chemical initiator‐free miniemulsion polymerization of styrene and butyl acrylate has been performed for preparation of magnetic nanocomposite particles with the diameter of…

Nanoparticle-Based Drug DeliveryAdvanced Polymer Synthesis and CharacterizationIron oxide chemistry and applications

Surface‐Enhanced Raman Spectroscopy for Trace Arsenic Detection in Contaminated Water

Martin J. Mulvihill、Andrea R. Tao、Kanokraj Benjauthrit 等 5 位作者2008-07-11Angewandte Chemie

Arsen im Grundwasser gefährdet die Gesundheit der Bevölkerung in Entwicklungsländer wie Bangladesh. Daher wird dort dringend ein zuverlässiges und transportables Gerät zum Arsennachweis benötigt. Ein hoch empfindliches System, das mithilfe von oberflächenverstärkter Raman-Spektroskopie (SERS, siehe Bild) Arsenat in Wa…

Gold and Silver Nanoparticles Synthesis and ApplicationsSpectroscopy Techniques in Biomedical and Chemical ResearchElectrochemical Analysis and Applications