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A solid-state hybrid density functional theory study of Prussian blue analogues and related chlorides at pressure

Derek S. Middlemiss、Lorreta M. Lawton、Chick C. Wilson2008-07-31Journal of Physics Condensed Matter

The variations with pressure in the structural, electronic and magnetic properties of a series of Prussian blue analogues (PBAs) K I M II [Cr III (CN) 6 ] (M = V II , Mn II and Ni II ) and associated isomorphous chlorides K I M II Cr III Cl 6 are investigated within a series of solid-state hybrid density functional ca…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research

Enhancement of Water Solubility of Single-Walled Carbon Nanotubes by Formation of Host−Guest Complexes of Cyclodextrins with Various Guest Molecules

Tomoki Ogoshi、Mitsuhiro Ikeya、Tada‐aki Yamagishi 等 5 位作者2008-07-31The Journal of Physical Chemistry C

Solubilization of single-walled carbon nanotubes (SWNTs) by physical adsorption of cyclodextrins (CDs), guest molecules, and host−guest complexes was investigated. As guest compounds, sodium adamantanecarboxylate (AdCNa), sodium dodecylbenzenesulfonate (SDBS), sodium ursodeoxycholate (UdCNa), sodium ferrocenecarboxyla…

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Formation Mechanism of Achiral Amphiphile-Templated Helical Mesoporous Silicas

Huibin Qiu、Shunai Che2008-07-31The Journal of Physical Chemistry B

A series of achiral cationic and anionic amphiphiles employed as templates for mesoporous silica, all showed an excellent ability to form highly ordered helical mesoporous silica (HMS) crystals. It was supposed that the helical mesostructure may originate from the helical propeller-like micelle formed by the achiral a…

Mesoporous Materials and CatalysisPorphyrin and Phthalocyanine ChemistryPolyoxometalates: Synthesis and Applications

Spectroscopic ellipsometry investigations of the thermally induced first-order transition ofRbMn[Fe(CN)6]

E. D. Loutete-Dangui、Épiphane Codjovi、Hiroko Tokoro 等 6 位作者2008-07-31Physical Review B

We report on detailed spectroscopic ellipsometry investigations on the thermally induced first-order phase transition of rubidium manganese hexacyano-ferrate $(\text{RbMn}[\text{Fe}{(\text{CN})}_{6}])$ pellet sample. This switchable solid shows a cooperative Jahn-Teller distortion coupled with a local charge transfer…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesOrganic and Molecular Conductors Research

Performance of Anticorrosive Coatings Containing Tripolyphosphates in Aggressive Environments

Cecilia Deyá、Alejandro Ramón Di Sarli、B. del Amo 等 4 位作者2008-07-31Industrial & Engineering Chemistry Research

The objective of this research was to study the efficiency of calcium tripolyphosphate and zinc tripolyphosphate as anticorrosive pigments for paints in aggressive environments. Alkyd and epoxy paints, of the solvent-borne type, containing 30% by volume (v/v) of the pigment, were formulated. The pigment volume concent…

Corrosion Behavior and InhibitionAnalytical Chemistry and SensorsConcrete Corrosion and Durability

Reversible Redox Reactions in an Extended Polyoxometalate Framework Solid

Chris Ritchie、Carsten Streb、Johannes Thiel 等 10 位作者2008-07-31Angewandte Chemie

Hin und her: Im ausgedehnten Metalloxidnetzwerk eines Polyoxometallats kann eine konzertierte reversible Redoxreaktion stattfinden, wenn die Hohlräume mit einem geeigneten Redoxreagens gefüllt sind (siehe Bild). Auf diese Weise lässt sich reversibel zwischen einer expandierten und einer kontrahierten Netzwerkstruktur…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions

The Liquid−Glass and Liquid−Liquid Transitions of TPP at Elevated Pressure

M. Mierzwa、Marian Paluch、Sylwester J. Rzoska 等 4 位作者2008-07-31The Journal of Physical Chemistry B

We studied the polyamorphism of the liquid triphenyl phosphite by means of broadband dielectric spectroscopy at ambient and elevated (p=500 MPa) pressures. The effect of pressure on fragility, liquid-liquid phase transition, and its kinetics is discussed in relation to the two-order-parameter model proposed by Tanaka.…

Material Dynamics and PropertiesThermodynamic properties of mixturesSpectroscopy and Quantum Chemical Studies

XPS‐depth analysis using C 60 ion sputtering of buried interface in plasma‐treated ethylene‐tetrafluoroethylene‐copolymer (ETFE) film

Yuichi Yamamoto、Seiji Higashi、Kiyoshi Yamamoto2008-07-31Surface and Interface Analysis

Abstract Ethylene‐tetrafluoroethylene‐copolymer (ETFE) films with the surface modified layer, which shows the high hydrophilicity and strong adhesion, have been obtained by two‐step treatment using the plasma discharge of hydrocarbon and oxygen‐mixed gas. The relation between the adhesion and the modified state near t…

Semiconductor materials and devicesDiamond and Carbon-based Materials ResearchIon-surface interactions and analysis

Influence of Long-Chain Aliphatic Dopants on the Spectroscopic Properties of Polyketimine Containing 3,8-Diamino-6-phenylphenanthridine and Ethylene Linkage in the Main Chain. Noncovalent Interaction: Proton Transfer, Hydrogen and Halogen Bonding

Agnieszka Iwan、Bożena Kaczmarczyk、Bożena Jarząbek 等 6 位作者2008-07-31The Journal of Physical Chemistry A

The spectroscopic properties of the aromatic polyketimine containing 3,8-diamino-6-phenylphenanthridine and ethylene linkage in the main chain (PK1) before and after doping are dominated by an interplay of electron-donating and electron-withdrawing effects mediated by its nitrogen atom and active groups in the dopants…

Conducting polymers and applicationsLuminescence and Fluorescent MaterialsSynthesis and properties of polymers

Insulating behavior of magnetic spots in proton-bombarded graphite

Kathrin Schindler、N. Garcı́a、P. Esquinazi 等 4 位作者2008-07-31Physical Review B

Kelvin probe force microscopy measurements on micrometer small magnetic spots produced by proton bombardment on bulk graphite reveal a charge transfer from the center of the spot to an external ring with potential variation on the order of 50 mV. The total charge in the spot is neutral. The results can be well underst…

Graphene research and applicationsIon-surface interactions and analysisGraphite, nuclear technology, radiation studies

Evaluation of Methods for Stiffness Predictions of Polymer/Clay Nanocomposites

Gong‐Tao Wang、Hong-Yuan Liu、Zhong‐Zhen Yu 等 4 位作者2008-07-31Journal of Reinforced Plastics and Composites

This article presents a critical review and evaluation of several mechanics models which are commonly used for elastic stiffness predictions of polymer/clay nanocomposites (PCNs). In particular, the assumptions and limitations of these models and formulas were examined. Stiffness predictions were compared to published…

Asphalt Pavement Performance EvaluationPolymer crystallization and propertiesPolymer Nanocomposites and Properties

Direct Synthesis of BaAl2S4:Eu2+ Blue Emission Phosphor by One-Step Sulfurization of Highly Homogeneous Oxide Precursor Prepared via a Solution-Based Method

Valery Petrykin、Masato Kakihana2008-07-31Chemistry of Materials

Solution-based synthesis of BaAl2S4 was developed for the first time. This blue emission phosphor was synthesized by sulfurization-reduction of the fine oxide precursor prepared by the polymerizable complex method. The proposed technique does not require handling of samples in the glovebox or annealing in evacuated am…

Advanced Photocatalysis TechniquesLuminescence Properties of Advanced MaterialsAmmonia Synthesis and Nitrogen Reduction

Structure and Dynamics of Surfactant Interfaces in Organically Modified Clays

Peter A. Mirau、Jennifer L. Serres、David E. Jacobs 等 5 位作者2008-07-31The Journal of Physical Chemistry B

Organic modification of clays with surfactants is required for the preparation of polymer-clay nanocomposites for a variety of applications. We have studied the structure and dynamics of interfaces in synthetic clays modified with phosphonium surfactants. The chemical shifts, line widths, and relaxation times measured…

Polymer Nanocomposites and PropertiesClay minerals and soil interactionsNMR spectroscopy and applications

Crystallinity, Stoichiometry, and Luminescence of High Quality ZnO Nanoclusters

Dimitri Tainoff、Bruno Masenelli、Olivier Boisron 等 5 位作者2008-07-31The Journal of Physical Chemistry C

Quasiperfect ZnO nanoclusters (∼6 nm in diameter) are synthesized in non steady state by an original process (the low energy cluster beam deposition, LECBD). The drastic cooling rate (10 10 K/s) of this cluster source induces an improvement of nanometric ZnO cluster quality as compared to more standard conditions of g…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesGa2O3 and related materials

Repetitively pulsed atmospheric pressure discharge treatment of rough polymer surfaces: II. Treatment of micro-beads in He/NH3/H2O and He/O2/H2O mixtures

Ananth Bhoj、Mark J. Kushner2008-07-31Plasma Sources Science and Technology

Plasmas are increasingly being used to functionalize the surface of polymers having complex shapes for biomedical applications such as tissue scaffolds and drug delivering micro-beads. The functionalization often requires affixation of amine (NH 2 ) or O-containing groups. In this paper, results are discussed from a t…

Surface Modification and SuperhydrophobicityAdvanced Sensor and Energy Harvesting MaterialsElectrohydrodynamics and Fluid Dynamics

Reactive conducting polymers as actuating sensors and tactile muscles

Toribio F. Otero2008-07-31Bioinspiration & Biomimetics

Films of conducting polymers when used as electrodes in an electrolytic solution oxidize and reduce under the flow of anodic and cathodic currents, respectively. The electrochemical reactions induce conformational movements of the chains, generation or destruction of free volume and interchange of ions and solvent wit…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsDielectric materials and actuators

Training effect and fatigue in polypyrrole-based artificial muscles

Keiichi Kaneto、Hirotaka Suematsu、Kentaro Yamato2008-07-31Bioinspiration & Biomimetics

Artificial muscles based on an electrochemomechanical strain (ECMS) in conducting polymers, namely polypyrrole (PPy) film, have been studied from viewpoints of training, fatigue and aging by repeat cycles under tensile loads. ECMS was approximately 2% in a saline solution, resulting from both insertion and exclusion o…

Supercapacitor Materials and FabricationAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Structural growth sequences and electronic properties of manganese-doped germanium clusters: MnGen(2–15)

Jianguang Wang、Li Ma、Jijun Zhao 等 4 位作者2008-07-31Journal of Physics Condensed Matter

The structural growth sequences and electronic properties of MnGe n ( n = 2–15) clusters have been investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). An extensive search of the lowest-energy structures was conducted by considering a number of structural isomers for…

ZnO doping and properties2D Materials and ApplicationsHeusler alloys: electronic and magnetic properties

Labeling of Sperm Cells via the Spontaneous Penetration of Eu 3+ Ions as Nanoparticles Complexed with PVA or PVP

Shirly Makhluf、Ruth Arnon、Chitta Ranjan Patra 等 7 位作者2008-07-31The Journal of Physical Chemistry C

This paper describes the synthesis of an aqueous colloidal solution of Eu(OH) 3 nanoparticles stabilized by polyvinylalcohol or polyvinylpyrolidone prepared in a sonication bath. These nanoparticles were used as nanolabeling agents for living sperm cells. The nanoparticles retain their desirable optical properties, wh…

Sperm and Testicular FunctionQuantum Dots Synthesis And PropertiesPolymer Surface Interaction Studies

Solvent, Anion, and Structural Effects on the Redox Potentials and UV−visible Spectral Properties of Mononuclear Manganese Corroles

Jing Shen、Maya El Ojaimi、Mohammed Chkounda 等 8 位作者2008-07-31Inorganic Chemistry

A series of manganese(III) corroles were investigated as to their electrochemistry and spectroelectrochemistry in nonaqueous solvents. Up to three oxidations and one reduction were obtained for each complex depending on the solvents. The main compound discussed in this paper is the meso-substituted manganese corrole,…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms