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Magnetism of small Cr clusters: Interplay between structure, magnetic order, and electron correlations

P. Ruiz‐Díaz、J. L. Ricardo-Chávez、J. Dorantes‐Dávila 等 4 位作者2010-06-24Physical Review B

The magnetic properties of small ${\text{Cr}}_{N}$ clusters $(N\ensuremath{\le}6)$ are investigated in the framework of density-functional theory. The interplay between electron correlations, cluster structure, and magnetic order is quantified by performing fully spin-unrestricted calculations allowing for noncollinea…

Advanced Chemical Physics StudiesMagnetic and transport properties of perovskites and related materialsMagnetism in coordination complexes

Lichtgesteuerte molekulare Erkennung und Adhäsion von Vesikeln

Siva Krishna Mohan Nalluri、Bart Jan Ravoo2010-06-24Angewandte Chemie

Supramolekularer Kleber: Die photoinduzierte Isomerisierung von difunktionellen Azobenzolen wird verwendet, um die molekulare Erkennung und Adhäsion von Cyclodextrin(CD)-Vesikeln herbeizuführen und aufzulösen. Die Wirkung dieses lichtreaktiven supramolekularen Klebers beruht auf der cis-trans-Isomerisierung der Azogru…

Liquid Crystal Research AdvancementsProteins in Food SystemsPickering emulsions and particle stabilization

Communications: Chain and double-ring polymeric structures: Observation of AlnH3n+1− (n=4–8) and Al4H14−

Li Xiang、Andrej Grubisic、Kit H. Bowen 等 7 位作者2010-06-24The Journal of Chemical Physics

A pulsed arc discharge source was used to prepare gas-phase, aluminum hydride cluster anions, Al(n)H(m) (-), exhibiting enhanced hydrogen content. The maximum number of hydrogen atoms in Al(n)H(m) (-) species was m=3n+1 for n=5-8, i.e., Al(n)H(3n+1) (-), and m=3n+2 for n=4, i.e., Al(4)H(14) (-), as observed in their m…

Advanced Chemical Physics StudiesHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen Reduction

Raman and IR studies of TaWO5.5, ASbWO6 (A = K, Rb, Cs, Tl), and ASbWO6·H2O (A = H, NH4, Li, Na) pyrochlore oxides

Mirosław Mączka、A. V. Knyazev、N. Yu. Kuznetsova 等 5 位作者2010-06-24Journal of Raman Spectroscopy

Abstract Raman and infrared (IR) spectra of defect pyrochlores TaWO 5.5 , NH 4 SbWO 6 ·H 2 O, HSbWO 6 ·H 2 O, LiSbWO 6 ·H 2 O, NaSbWO 6 ·H 2 O, KSbWO 6 , RbSbWO 6 , CsSbWO 6 , and TlSbWO 6 were measured. The obtained spectra are discussed using the factor group approach for the cubic Fd ‐3 m space group, and assignmen…

Advanced Condensed Matter PhysicsMicrowave Dielectric Ceramics SynthesisNuclear materials and radiation effects

Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismaticβ-Si3N4

W. Y. Ching、Paul Rulis、Lizhi Ouyang 等 5 位作者2010-06-24Physical Review B

Microstructures such as intergranular glassy films (IGFs) are ubiquitous in many structural ceramics. They control many of the important physical properties of polycrystalline ceramics and can be influenced during processing to modify the performance of devices that contain them. In recent years, there has been intens…

Advanced ceramic materials synthesisSemiconductor materials and devicesGlass properties and applications

Dead-End Filling of SlipChip Evaluated Theoretically and Experimentally as a Function of the Surface Chemistry and the Gap Size between the Plates for Lubricated and Dry SlipChips

Liang Li、Mikhail A. Karymov、Kevin P. Nichols 等 4 位作者2010-06-24Langmuir

In this paper, we describe a method to load a microfluidic device, the SlipChip, via dead-end filling. In dead-end filling, the lubricating fluid that fills the SlipChip after assembly is dissipated through the gap between the two plates of the SlipChip instead of flowing through an outlet at the end of the fluidic pa…

Surface Modification and SuperhydrophobicityMicrofluidic and Capillary Electrophoresis ApplicationsElectrowetting and Microfluidic Technologies

The Enhanced Low‐Voltage Cathodoluminescent Properties of Spherical Y 2 O 3 :Eu 3+ Phosphors Coated with In 2 O 3 and its Application to Field‐Emission Displays

Mingchang Zhang、Xiaojun Wang、Hui Ding 等 6 位作者2010-06-24International Journal of Applied Ceramic Technology

Dispersed and spherical Y 2 O 3 :Eu 3+ red phosphor particles were prepared by the urea homogeneous precipitation method. In 2 O 3 nanoparticles were successfully coated on the surface of the phosphor. Phase compositions, morphologies, photoluminescence (PL) spectra, and cathodoluminescence (CL) properties of Y 2 O 3…

Luminescence Properties of Advanced MaterialsGas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials

Mechanically Generated Surface Chirality at the Nanoscale

Sameh Ferjani、Yoonseuk Choi、Joel Pendery 等 5 位作者2010-06-24Physical Review Letters

A substrate coated with an achiral polyimide alignment layer was scribed bidirectionally with the stylus of an atomic force microscope to create an easy axis for liquid crystal orientation. The resulting noncentrosymmetric topography resulted in a chiral surface that manifests itself at the molecular level. To show th…

Photonic and Optical DevicesLiquid Crystal Research AdvancementsPhotonic Crystals and Applications

Achieving Ferromagnetism in Single-Crystalline ZnS Wurtzite Nanowires via Chromium Doping

Yafei Li、Zhen Zhou、Peng Jin 等 6 位作者2010-06-24The Journal of Physical Chemistry C

The magnetic properties of Cr-doped wurtzite ZnS nanowires were studied through first-principles computations. At a low doping concentration of 2.08% (one Cr atom in a 96-atom supercell), the Cr atom prefers to substitute for the surface four-coordinated Zn atom in the groove of the ZnS nanowire with a diameter of 1.2…

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

Highly Fluorescent Aggregates Modulated by Surfactant Structure and Concentration

Defeng Yu、Qun Zhang、Chunxian Wu 等 10 位作者2010-06-24The Journal of Physical Chemistry B

The effects of anionic surfactants on the aggregation-induced emission (AIE) feature of cationic M-silole molecules have been studied. The electrostatic binding of M-silole with the surfactants greatly promotes the aggregation of the mixtures. The M-silole/surfactant aggregates at 1:1 charge ratio exhibit the maximum…

Molecular Sensors and Ion DetectionOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

Measurement of Cracking Kinetics of Pure Model Compounds by Thermogravimetric Analysis

Ali H. Alshareef、Khalid Azyat、Rik R. Tykwinski 等 4 位作者2010-06-24Energy & Fuels

Determination of cracking kinetics by thermogravimetric analysis (TGA) is attractive but requires careful experimental design to ensure consistent results. Here, we examine three methods for determining kinetic parameters by TGA: differential analysis at a constant heating rate (differential), temperature for constant…

Energetic Materials and CombustionCrystallization and Solubility StudiesThermal and Kinetic Analysis

Power of the Poincaré Group: Elucidating the Hidden Symmetries in Focal Conic Domains

Gareth P. Alexander、Bryan Gin–ge Chen、Elisabetta A. Matsumoto 等 4 位作者2010-06-24Physical Review Letters

Focal conic domains are typically the "smoking gun" by which smectic liquid crystalline phases are identified. The geometry of the equally spaced smectic layers is highly generic but, at the same time, difficult to work with. In this Letter we develop an approach to the study of focal sets in smectics which exploits a…

Liquid Crystal Research AdvancementsAdvanced Materials and MechanicsMathematics and Applications

Cyclic Structural Motifs in 5,6-Dihydroxyindole Polymerization Uncovered: Biomimetic Modular Buildup of a Unique Five-Membered Macrocycle

Marianna Arzillo、Alessandro Pezzella、Orlando Crescenzi 等 7 位作者2010-06-24Organic Letters

An unprecedented 5,6-dihydroxyindole macrocycle (4) featuring a rigid twisted backbone was obtained by biomimetic oxidative cross-coupling of the 2,2'-biindole 2 and triindole 3. A putative reaction intermediate, 2-quinone, was detected and characterized by pulse radiolysis and DFT calculations. Discovery of 4 indirec…

Porphyrin and Phthalocyanine ChemistryFluorine in Organic ChemistryPolymer Synthesis and Characterization

Thermal Shock Behavior of Flame‐Sprayed Free‐Standing Coatings Based on Al 2 O 3 with TiO 2 ‐ and ZrO 2 ‐Additions

Christos G. Aneziris、Patrick Gehre、Tim Kratschmer 等 4 位作者2010-06-24International Journal of Applied Ceramic Technology

Because of the combination of laminar grain structures with special Al 2 O 3 –TiO 2 –ZrO 2 ‐compositions, free‐standing flame spraying coatings with superior thermal shock properties were produced presenting a slightly increasing strength plateau up to 900 K temperature gradient and a secondary low strength plateau at…

Advanced ceramic materials synthesisHigh-Temperature Coating BehaviorsAdvanced materials and composites

Possible origin of the reduced ordered magnetic moment in iron pnictides: A dynamical mean-field theory study

Hunpyo Lee、Yu‐Zhong Zhang、Harald O. Jeschke 等 4 位作者2010-06-24Physical Review B

We investigate the phase diagram of a two-band frustrated Hubbard model in the framework of dynamical mean-field theory. While a first-order phase transition occurs from a paramagnetic (PM) metal to an antiferromagnetic (AF) insulator when both bands are equally frustrated, an intermediate AF metallic phase appears in…

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

Loading and Aging Effects in Exhaust Gas After-Treatment Catalysts with Pt As Active Component

Willi Boll、Steffen Tischer、Olaf Deutschmann2010-06-24Industrial & Engineering Chemistry Research

Abatement of pollutant emissions over platinum-containing catalytic converters of lean operated engines is studied. Several close-to-production model catalysts with varying platinum loading and hydrothermal aging procedures are characterized by BET, HR-SEM, HR-TEM, and CO-TPD. Pollutant conversion is numerically inves…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions

Speciation of Copper in Spherical Mesoporous Silicates: From the Microscale to Angstrom

Corina M. Chanquía、Leandro Andrini、Julio D. Fernández 等 7 位作者2010-06-24The Journal of Physical Chemistry C

MCM-41 type mesoporous silicate particles with spherical morphology containing copper nanospecies were synthesized by conventional hydrothermal synthesis. A narrow distribution of silicate particle sizes between 2 and 3 μm and a well-defined mesoporosity were evidenced by electronic microscopy, even for loadings of co…

Catalytic Processes in Materials ScienceZeolite Catalysis and SynthesisMesoporous Materials and Catalysis

Surface Charge Density Wave Phase Transition inNbSe3

Christophe Brun、Zhao-Zhong Wang、P. Monceau 等 4 位作者2010-06-24Physical Review Letters

The two charge-density wave (CDW) transitions in NbSe3 were investigated by scanning tunneling microscopy (STM) on an in situ cleaved (b, c) plane. The temperature dependence of first-order CDW satellite spots, obtained from the Fourier transform of the STM images, was measured between 5 and 140 K to extract the surfa…

Physics of Superconductivity and MagnetismMolecular Junctions and NanostructuresOrganic and Molecular Conductors Research

Influence of OH− and SO42− Anions on Morphologies of the Nanosized Nickel Hydroxide

Dehui Sun、Dehui Sun、Jilin Zhang 等 7 位作者2010-06-24The Journal of Physical Chemistry C

The nickel hydroxides (β-Ni(OH) 2 ) with different shapes such as hexagonal nanosheets, irregular nanosheets, and nanoparticles were synthesized in the absence of SO 4 2− ions and in the presence of 0.00−3.00 mmol of the added NaOH using a hydrothermal method. The β-Ni(OH) 2 phase with brucite-type structure was confi…

Advanced Photocatalysis TechniquesSupercapacitor Materials and FabricationLayered Double Hydroxides Synthesis and Applications

Time-Dependent Polymerization Kinetic Study and the Properties of Hybrid Polymers with Functional Silsesquioxanes

Khine Yi Mya、Esther M. J. Lin、Chakravarthy S. Gudipati 等 5 位作者2010-06-24The Journal of Physical Chemistry B

Methacrylate-functionalized cubic silsesquioxane homopolymers [p(MA-CSSQ)] were synthesized by reversible addition-fragmentation chain transfer (RAFT)-mediated living radical polymerization in the presence of dodecyl(dimethylacetic acid)trithiocarbonate (DDTA) chain transfer agent, and their polymerization kinetics we…

Advanced Polymer Synthesis and CharacterizationSynthesis and properties of polymersSilicone and Siloxane Chemistry