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First‐principle calculations on CO oxidation catalyzed by a gold nanoparticle

Hsin‐Tsung Chen、Hsin‐Tsung Chen、Jee‐Gong Chang 等 6 位作者2009-05-11Journal of Computational Chemistry

We have elucidated the mechanism of CO oxidation catalyzed by gold nanoparticles through first-principle density-functional theory (DFT) calculations. Calculations on selected model show that the low-coordinated Au atoms of the Au(29) nanoparticle carry slightly negative charges, which enhance the O(2) binding energy…

Catalytic Processes in Materials ScienceNanocluster Synthesis and ApplicationsNanomaterials for catalytic reactions

Covalent functionalization of ZnO surfaces: A density functional tight binding study

Ney H. Moreira、Andréia Luísa da Rosa、Thomas Frauenheim2009-05-11Applied Physics Letters

We have demonstrated the covalent functionalization of 101̱0-ZnO surfaces with carboxylic acids by employing self-consistent charge density functional tight binding (SCC-DFTB) calculations. We have found two thermodynamically stable surface configurations: (i) a monolayer coverage with a bidentate chelating ligand and…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesCopper-based nanomaterials and applications

Study of broadband near-infrared emission in Tm^3+-Er^3+ codoped TeO_2-WO_3-PbO glasses

R. Balda、J.F. Fernández、J.M. Fernández-Navarro2009-05-11Optics Express

In this work, we report the near-infrared emission properties of Tm(3+)-Er(3+) codoped tellurite TeO(2)-WO(3)-PbO glasses under 794 nm excitation. A broad emission from 1350 to 1750 nm corresponding to the Tm(3+) and Er(3+) emissions is observed. The full width at half-maximum of this broadband increases with increasi…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsRandom lasers and scattering media

Zinc phthalocyanine thin film and chemical analyte interaction studies by density functional theory and vibrational techniques

G. S. S. Saini、Sukhwinder Singh、Sarvpreet Kaur 等 6 位作者2009-05-11Journal of Physics Condensed Matter

Thin films of zinc phthalocyanine have been deposited on KBr and glass substrates by the thermal evaporation method and characterized by the x-ray diffraction, optical, infrared and Raman techniques. The observed x-ray diffraction and infrared absorption spectra of as-deposited thin films suggest the presence of an α…

Porphyrin and Phthalocyanine ChemistrySpectroscopy and Quantum Chemical StudiesElectrochemical Analysis and Applications

Polarization sensitive silicon photodiodes using nanostructured metallic grids

Mickaël Guillaumée、L. A. Dunbar、Christian Santschi 等 7 位作者2009-05-11Applied Physics Letters

In this paper, we present the design, fabrication, and characterization of wire grid polarizers. These polarizers show high extinction ratios and high transmission with structure dimensions that are compatible with current complementary metal-oxide-semiconductor (CMOS) technology. To design these wire grids, we first…

Plasmonic and Surface Plasmon ResearchOptical Coatings and GratingsNear-Field Optical Microscopy

Nitrogen Configuration in Individual CNx-SWNTs Synthesized by Laser Vaporization Technique

Hong‐Ping Lin、Raúl Arenal、Shaïma Enouz-Védrenne 等 5 位作者2009-05-11The Journal of Physical Chemistry C

We present a new route to the synthesis of nitrogen doped single-walled nanotubes (CN x -SWNTs) based on laser vaporization technique. Using spatially resolved electron energy loss spectroscopy (SR-EELS), we measure the incorporation of nitrogen in SWNTs bundles as well as in individual tubes and investigate its atomi…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchFullerene Chemistry and Applications

Facile Fabrication of Porous CuS Nanotubes Using Well-Aligned [Cu(tu)]Cl·1/2H2O Nanowire Precursors as Self-Sacrificial Templates

Jianfei Mao、Qian Shu、Ya‐Qiong Wen 等 6 位作者2009-05-11Crystal Growth & Design

We have demonstrated for the first time an extremely facile procedure for the preparation of porous CuS nanotubes with good morphological and high chemical purity using [Cu(tu)]Cl·1/2H 2 O nanowire precursors as self-sacrificial templates at room temperature (thiourea = tu). Well-organized [Cu(tu)]Cl·1/2H 2 O nanowire…

Quantum Dots Synthesis And PropertiesNanomaterials and Printing TechnologiesCopper-based nanomaterials and applications

Growth and Investigation of Crystals of the New Superconductor α-FeSe from KCl Solutions

B. H. Mok、S. M. Rao、Minhua Ling 等 15 位作者2009-05-11Crystal Growth & Design

Crystals of FeSe 0.88 and FeSeMn 0.1 have been grown from KCl solutions. Crystals measuring 2−3 mm across and 0.1−0.3 mm thick grow with a hexagonal plate like habit. Powder X-ray diffraction (XRD) measurements show strong peaks corresponding to the tetragonal α-FeSe phase and weak hexagonal β-FeSe peaks in both cases…

Rare-earth and actinide compoundsCorporate Taxation and AvoidanceIron-based superconductors research

Hydrophobicity of Perfluoroalkyl Isocyanate Monolayers on Oxidized Aluminum Surfaces

Atsushi Hozumi、Bokyung Kim、Thomas J. McCarthy2009-05-11Langmuir

Perfluoroalkyl isocyanate-derived monolayers were prepared on oxidized aluminum surfaces by chemical vapor deposition (CVD) of 1H,1H,2H,2H-perfluorodecyl isocyanate (CF(3)[CF(2)](7)CH(2)CH(2)N horizontal lineC horizontal lineO, i.e., R(F)-NCO). Two types of oxidized aluminum substrates were studied: electrochemically…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsSynthesis and properties of polymers

Endoscopy-Based in Situ Bulk Video Imaging of Batch Crystallization Processes

Levente L. Simon、Zoltán K. Nagy、Konrad Hungerbühler2009-05-11Organic Process Research & Development

External bulk video imaging (eBVI) of crystallization processes has proven to be a promising technique for metastable zone determination. In this contribution the endoscopy-based in situ bulk video imaging (iBVI) method is introduced. The video data are processed using the mean gray intensity method and by a digital i…

Crystallization and Solubility StudiesChemical and Physical Properties in Aqueous SolutionsX-ray Diffraction in Crystallography

Superconducting and normal phases of FeSe single crystals at high pressure

D Braithwaite、B Salce、G Lapertot 等 7 位作者2009-05-11Journal of Physics Condensed Matter

We report on the synthesis of superconducting single crystals of FeSe and their characterization by x-ray diffraction, magnetization and resistivity. We have performed ac susceptibility measurements under high pressure in a hydrostatic liquid argon medium up to 14 GPa and we find that T(C) increases up to 33-36 K in a…

Physics of Superconductivity and MagnetismRare-earth and actinide compoundsIron-based superconductors research

Au−Ir/TiO2Prepared by Deposition Precipitation with Urea: Improved Activity and Stability in CO Oxidation

Antonio Gómez-Cortés、Gabriela Díaz、Rodolfo Zanella 等 6 位作者2009-05-11The Journal of Physical Chemistry C

A series of Ir and Au−Ir supported on TiO 2 catalysts were prepared by deposition−precipitation with urea to study the activity and stability of these materials in the CO oxidation reaction. Bimetallic samples were prepared using two approaches: one by codeposition of the metal precursors and the other by sequential d…

Catalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization StudiesCatalysis and Oxidation Reactions

Discovery of Heteroatom‐“Embedded” Te⊂{W18O54} Nanofunctional Polyoxometalates by Use of Cryospray Mass Spectrometry

Jun Yan、De‐Liang Long、Elizabeth F. Wilson 等 4 位作者2009-05-11Angewandte Chemie International Edition

The cryo game: Heteroatom-embedded nanofunctional clusters are described that incorporate a [Te(VI)O(6)](6-) species contained within a {W(18)O(54)} cage. Not only does the tellurium-based species activate the {W(18)O(54)} cluster surface for assembly of larger nanoscale structures, such as [H(10)Te(VI) (2)W(58)O(198)…

Polyoxometalates: Synthesis and ApplicationsNanocluster Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

Direct evidence of phase separation in Ge2Sb2Te5 in phase change memory devices

Cheolkyu Kim、Dongmin Kang、Tae-Yon Lee 等 9 位作者2009-05-11Applied Physics Letters

Phase change materials in phase change random access memory (PRAM) undergo very high electrical stress as well as thermal stress during operation. These can cause intrinsic problems in stability of the PRAM devices. We investigate the stability of Ge2Sb2Te5, the most common phase change material for PRAM, under electr…

Liquid Crystal Research AdvancementsChalcogenide Semiconductor Thin FilmsPhase-change materials and chalcogenides

Tuning the Electrochromic Properties of Poly(alkyl-3,4-ethylenedioxyselenophenes) Having High Contrast Ratio and Coloration Efficiency

Mao Li、Y. Sheynin、Asit Patra 等 4 位作者2009-05-11Chemistry of Materials

A systematic study of the electrochemical, spectroelectrochemical and electrochromic (EC) properties of poly(alkyl-3,4-ethylenedioxyselenophene) (PEDOS-C n ) ( n = 0, 2, 4, 6, 8 and 12) films is reported. The alkyl substituents lead PEDOS-C n films to exhibit sharper redox peaks than the parent PEDOS film and raise an…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsTransition Metal Oxide Nanomaterials

Diffusion Path and Conduction Mechanism of Oxide Ions in Apatite-Type Lanthanum Silicates

Emilie Béchade、Olivier Masson、Tomoyuki Iwata 等 7 位作者2009-05-11Chemistry of Materials

Apatite-type lanthanum silicates of general formula La 9.33+2 x /3 (SiO 4 ) 6 O 2+ x have appeared recently as a new promising class of oxide ion conductors with potential applications as electrolytes for solid oxide fuel cells (SOFCs). They have been shown to demonstrate relatively high oxide ion conductivity at mode…

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

Direct measurement of magnetoelectric exchange in self-assembled epitaxial BiFeO3–CoFe2O4 nanocomposite thin films

Liqin Yan、Zengping Xing、Zhiguang Wang 等 7 位作者2009-05-11Applied Physics Letters

We report the direct measurement of a magnetoelectric (ME) exchange between magnetostrictive CoFe2O4 nanopillars in a piezoelectric BiFeO3 matrix for single-layer nanocomposite epitaxial thin films grown on (001) SrTiO3 substrates with SrRuO3 bottom electrodes. The ME coefficient was measured by a magnetic cantilever…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsUnderwater Acoustics Research

Roles of Cu codoping and oxygen vacancies on ferromagnetism inIn2O3:Fe

Lixiu Guan、Junguang Tao、Zhifeng Xiao 等 8 位作者2009-05-11Physical Review B

The electronic structures and the ferromagnetic (FM) stability in ${\text{In}}_{2}{\text{O}}_{3}:\text{Fe}$ (IFO) with additional Cu and oxygen vacancy $({V}_{\text{O}})$ doping have been investigated using first-principles calculations within the framework of density-functional theory. It is found that pure IFO has a…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Effects of localized surface plasmons on the photoluminescence properties of Au-coated ZnO films

Yang Zhang、Xue Li、Xi-Jun Ren2009-05-11Optics Express

The ultraviolet (UV) emission from the Au-coated ZnO films was greatly enhanced and the visible emission was significantly suppressed compared with the un-coated ZnO films. Great changes in photoluminescence of ZnO films are attributed to the electron transfer between conduction band and defect levels through the loca…

ZnO doping and propertiesGold and Silver Nanoparticles Synthesis and ApplicationsCopper-based nanomaterials and applications

A Photoconductive Covalent Organic Framework: Self‐Condensed Arene Cubes Composed of Eclipsed 2D Polypyrene Sheets for Photocurrent Generation

Shun Wan、Jia Guo、Jangbae Kim 等 5 位作者2009-05-11Angewandte Chemie

An, aus, an, aus …︁ Ein auf Pyren basierendes kovalentes organisches Gerüst (blau Pyren, weiß B, rot O) erleichtert die Excitonenwanderung und den Ladungstransport, sammelt Photonen des sichtbaren Lichts und reagiert rasch auf die Bestrahlung mit Licht unter Erzeugung eines merklichen Photostroms. Mit dem Gerüst ist e…

Metal-Organic Frameworks: Synthesis and ApplicationsLuminescence and Fluorescent MaterialsCovalent Organic Framework Applications