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Low-Energy Isomer Identification, Structural Evolution, and Magnetic Properties in Manganese-Doped Gold Clusters MnAun (n = 1–16)

Meng Zhang、Hongyu Zhang、Lina Zhao 等 5 位作者2012-01-06The Journal of Physical Chemistry A

The size-dependent electronic, structural, and magnetic properties of Mn-doped gold clusters have been systematically investigated by using relativistic all-electron density functional theory with generalized gradient approximation. A number of new isomers are obtained for neutral MnAu(n) (n = 1-16) clusters to probe…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceNanocluster Synthesis and Applications

Fatigue life, morphological studies, and thermal aging of rattan powder-filled natural rubber composites as a function of filler loading and a silane coupling agent

Hanafi Ismail、Komethi Muniandy、Nadras Othman2012-01-06BioResources

Fatigue life, morphological studies, and thermal aging properties of rattan powder-filled natural rubber (NR) composites were investigated as a function of filler loading and a silane coupling agent. NR composites were prepared by the incorporation of rattan powder in the range of 0 to 30 phr into a NR matrix with a l…

Polymer Nanocomposites and PropertiesNatural Fiber Reinforced CompositesTribology and Wear Analysis

Direct graphene growth on Co3O4(111) by molecular beam epitaxy

Mi Zhou、Frank L. Pasquale、P. A. Dowben 等 9 位作者2012-01-06Journal of Physics Condensed Matter

Direct growth of graphene on Co(3)O(4)(111) at 1000 K was achieved by molecular beam epitaxy from a graphite source. Auger spectroscopy shows a characteristic sp(2) carbon lineshape, at average carbon coverages from 0.4 to 3 ML. Low energy electron diffraction (LEED) indicates (111) ordering of the sp(2) carbon film w…

Advancements in Battery MaterialsGraphene research and applications

Increasing the Phase-Transition Temperatures in Spin-Frustrated Multiferroic MnWO4 by Mo Doping

Lynda Meddar、Michaël Josse、Mario Maglione 等 12 位作者2012-01-06Chemistry of Materials

Ceramic samples of MnW 1– x Mo x O 4 ( x ≤ 0.3) solid solution were prepared by a solid-state route with the goal of increasing the magnitude of the spin-exchange couplings among the Mn 2+ ions in the spin spiral multiferroic MnWO 4 . Samples were characterized by X-ray diffraction, optical spectroscopy, magnetization…

Perovskite Materials and ApplicationsMultiferroics and related materialsAdvanced Condensed Matter Physics

Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis

Carl-Georg Freiherr Von Richthofen、Anja Stammler、Hartmut Bögge 等 4 位作者2012-01-06The Journal of Organic Chemistry

The triplesalen ligand system based on three salen-like coordination environments bridged by a common phloroglucinol ring has been designed and successfully applied for the rational synthesis of single-molecule magnets from two trinuclear triplesalen complexes and one hexacyanometallate by supramolecular recognition.…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4, solved by manual electron-diffraction tomography

Mauro Gemmi、I. Campostrini、Francesco Demartin 等 5 位作者2012-01-06Acta Crystallographica Section B Structural Science

The new mineral sarrabusite Pb(5)CuCl(4)(SeO(3))(4) has been discovered in the Sardinian mine of Baccu Locci, near Villaputzu. It occurs as small lemon-yellow spherical aggregates of tabular crystals (< 10 µm) of less than 100 µm in diameter. The crystal structure has been solved from and refined against electron diff…

Crystal Structures and PropertiesX-ray Diffraction in CrystallographyMineralogy and Gemology Studies

Electrospun zein–PVP fibre composite and its potential medical application

Wei Nie、Deng‐Guang Yu、C. Branford-White 等 5 位作者2012-01-06Materials Research Innovations

Electrospun zein–polyvinylpyrrolidone (PVP) ultrafine fibres containing varying polymer ratios were prepared and characterised. Ketoprofen was used as a model drug incorporated into the polymer system. The fibre morphologies, the composite physical states and their interactions were investigated using scanning electro…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Evolution of Aluminum Hydroxides in Diluted Aqueous Aluminum Nitride Powder Suspensions

Andraž Kocjan、Aleš Dakskobler、Tomaž Kosmač2012-01-06Crystal Growth & Design

The evolution of aluminum hydroxides in diluted aqueous aluminum nitride (AlN) powder suspensions in the temperature range 22–90 °C was studied in order to set up a general mechanistic model over a broad temperature range, uniting previously observed hydrolysis reactions at room temperature and at elevated temperature…

Advanced ceramic materials synthesisBauxite Residue and UtilizationMagnesium Oxide Properties and Applications

Modulating Contact Angle Hysteresis To Direct Fluid Droplets along a Homogenous Surface

Mingxiang Luo、Rohini Gupta、Joëlle Fréchette2012-01-06ACS Applied Materials & Interfaces

The shape and motion of drops on surfaces is governed by the balance between the driving and the pinning forces. Here we demonstrate control over the motion of droplets on an inclined surface by exerting control over the contact angle hysteresis. The external modulation of contact angle hysteresis is achieved through…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferAdhesion, Friction, and Surface Interactions

Deciphering Chemical Bonding in a BC3 Honeycomb Epitaxial Sheet

Ivan A. Popov、Alexander I. Boldyrev2012-01-06The Journal of Physical Chemistry C

The substitution of every fourth carbon atom in graphene by a boron atom preserves the honeycomb structure in the BC 3 two-dimentional lattice, but as we found in our adaptive natural density partitioning analysis, it remarkably alters the chemical bonding. First, in the BC 3 lattice, where boron atoms are surrounded…

Advancements in Battery MaterialsGraphene research and applicationsBoron and Carbon Nanomaterials Research

Dynamics of Molecular Rotors Confined in Two Dimensions: Transition from a 2D Rotational Glass to a 2D Rotational Fluid in a Periodic Mesoporous Organosilica

Cortnie S. Vogelsberg、Silvia Bracco、Mario Beretta 等 6 位作者2012-01-06The Journal of Physical Chemistry B

The motional behavior of p-phenylene-d(4) rotators confined within the 2D layers of a hierarchically ordered periodic mesoporous p-divinylbenzenesilica has been elucidated to evaluate the effects of reduced dimensionality on the engineered dynamics of artificial molecular machines. The hybrid mesoporous material, char…

Liquid Crystal Research AdvancementsMesoporous Materials and CatalysisAdvanced NMR Techniques and Applications

White-Light-Emitting Silicon Nanocrystal Generated by Pulsed Laser Ablation in Supercritical Fluid: Investigation of Spectral Components As a Function of Excitation Wavelengths and Aging Time

Shaoyu Wei、Tomoharu Yamamura、Daisuke Kajiya 等 4 位作者2012-01-06The Journal of Physical Chemistry C

White-light-emitting silicon nanocrystals (Si-NCs) ranging from the near UV to the red region were fabricated by pulsed laser ablation (PLA) of a bulk silicon crystal in a supercritical fluid. The broad photoluminescence (PL) spectra, white light continuum, were investigated by measuring time evolution against aging i…

Carbon Nanotubes in CompositesSilicon Nanostructures and PhotoluminescenceLaser-Ablation Synthesis of Nanoparticles

X-ray Studies of Carbon Dioxide Intercalation in Na-Fluorohectorite Clay at Near-Ambient Conditions

Henrik Hemmen、Erlend Rolseth、Davi M. Fonseca 等 6 位作者2012-01-06Langmuir

We show experimentally that gaseous CO(2) intercalates into the interlayer space of the synthetic smectite clay Na-fluorohectorite at conditions not too far from ambient. The mean interlayer repetition distance of the clay when CO(2) is intercalated is found to be 12.5 Å for the conditions -20 °C and 15 bar. The magni…

Zeolite Catalysis and SynthesisPolymer Nanocomposites and PropertiesClay minerals and soil interactions

Wicking and Spreading of Water Droplets on Nanotubes

Ho Seon Ahn、Gunyeop Park、Joonwon Kim 等 4 位作者2012-01-06Langmuir

Recently, there has been intensive research on the use of nanotechnology to improve the wettability of solid surfaces. It is well-known that nanostructures can improve the wettability of a surface, and this is a very important safety consideration in regard to the occurrence of boiling crises during two-phase heat tra…

Surface Modification and SuperhydrophobicityHeat Transfer and Boiling StudiesFluid Dynamics and Heat Transfer

SANS and SAXS Analysis of Charged Nanoparticle Adsorption at Oil–Water Interfaces

Kjersta Larson-Smith、Andrew Jackson、Danilo C. Pozzo2012-01-06Langmuir

A systematic study of the adsorption of charged nanoparticles at dispersed oil-in-water emulsion interfaces is presented. The interaction potentials for negatively charged hexadecane droplets with anionic polystyrene latex particles or cationic gold particles are calculated using DLVO theory. Calculations demonstrate…

Enhanced Oil Recovery TechniquesSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Clusters binding to the graphene moiré on Ir(111): X-ray photoemission compared to density functional calculations

Jan Knudsen、Peter J. Feibelman、T. Gerber 等 8 位作者2012-01-06Physical Review B

Our understanding of metal-atom cluster adsorption on graphene on Ir(111) is based on elementary chemical ideas, rehybridization, and buckling, supported by density functional theory (DFT) calculations. We tested the DFT picture by comparing calculated core level spectra to x-ray photoemission spectroscopy (XPS) measu…

Graphene research and applicationsElectron and X-Ray Spectroscopy TechniquesSurface and Thin Film Phenomena

Mechanistic Study of the Synthesis of CdSe Nanocrystals: Release of Selenium

Raúl García‐Rodríguez、Haitao Liu2012-01-06Journal of the American Chemical Society

We outline a reaction pathway for the cleavage of the P═Se bond in trialkylphosphine selenide during the synthesis of CdSe nanocrystals. The reaction between cadmium carboxylate and trimethylphosphine selenide in the presence of an alcohol produces alkoxytrimethylphosphonium (2). Control experiments and density functi…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsOrganoselenium and organotellurium chemistry

Graphene as a Quencher of Electronic Excited States of Photochemical Probes

Maykel de Miguel、Mercedes Álvaro、Hermenegildo Garcı́a2012-01-06Langmuir

Graphene sheets quench the singlet and triplet excited states of a series of six photochemical probes including pyrene, acridine orange, tris(2,2́-bipyridyl)ruthenium(II) dichloride, methylene blue, meso-tetrakis(phenylsulphonate)porphyrin, and 5,10,15,20-tetraphenyl-21H,28H-porphine zinc. It was found that Stern-Volm…

Graphene research and applicationsPorphyrin and Phthalocyanine ChemistryMolecular Junctions and Nanostructures

Control of Plasmonic Superradiance in Metallic Nanoparticle Assembly by Light-Induced Force and Fluctuations

Takuya Iida2012-01-06The Journal of Physical Chemistry Letters

The possibility of simultaneous control of the configuration and optical functions of a metallic nanoparticle (NP) assembly by light-induced force (LIF) and thermal fluctuations has been demonstrated on the basis of self-consistent theory of LIF and nonequilibrium dynamics. It has been clarified that the NPs are arran…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchOrbital Angular Momentum in Optics

Transport/Magnetotransport of High-Performance Graphene Transistors on Organic Molecule-Functionalized Substrates

Shao‐Yu Chen、Po‐Hsun Ho、Ren-Jye Shiue 等 5 位作者2012-01-06Nano Letters

In this article, we present the transport and magnetotransport of high-quality graphene transistors on conventional SiO(2)/Si substrates by modification with organic molecule octadecyltrichlorosilane (OTS) self-assembled monolayers (SAMs). Graphene devices on OTS SAM-functionalized substrates with high carrier mobilit…

Graphene research and applicationsQuantum and electron transport phenomenaMolecular Junctions and Nanostructures