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Symmetry and Stability of the Rutile-Based TiO2 Nanowires: Models and Comparative LCAO-Plane Wave DFT Calculations

R. A. Évarestov、Д. Б. Мигас、Yuri F. Zhukovskii2012-05-17The Journal of Physical Chemistry C

The rod symmetry groups for monoperiodic (1D) nanostructures have been applied for construction of models for bulk-like titania nanowires (NWs) cut from a rutile-based 3D crystal along the direction of a chosen crystallographic symmetry axis (in this study we consider only Ti atom-centered axes). The most stable [001]…

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

Magneto-Optical Enhancement by Plasmon Excitations in Nanoparticle/Metal Structures

M. Rubio-Roy、Ondřej Vlašín、Oana Pascu 等 10 位作者2012-05-17Langmuir

Coupling magnetic materials to plasmonic structures provides a pathway to dramatically increase the magneto-optical response of the resulting composite architecture. Although such optical enhancement has been demonstrated in a variety of systems, some basic aspects are scarcely known. In particular, reflectance/transm…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchPhotonic Crystals and Applications

Cyclopentadienyl–Silsesquioxane Titanium Complexes: Highly Active Catalysts for Epoxidation of Alkenes with Aqueous Hydrogen Peroxide

María Ventura、Marta E. G. Mosquera、Tomás Cuenca 等 5 位作者2012-05-17Inorganic Chemistry

Titanium complexes bearing an unprecedented tridentate cyclopentadienyl-silsesquioxanate ligand provide a new class of efficient and selective catalysts for epoxidation of olefins with aqueous hydrogen peroxide under homogeneous conditions.

Organometallic Complex Synthesis and CatalysisCarbon dioxide utilization in catalysisSilicone and Siloxane Chemistry

Alveolar Bone Regeneration by Implantation of Nacre and B-Tricalcium Phosphate in Guinea Pig

Pattapon Asvanund、P. Chunhabundit2012-05-17Implant Dentistry

PURPOSE: To investigate alveolar bone regeneration after nacre implantation in comparison to β-tricalcium phosphate (β-TCP) for the potential application to bone grafting. MATERIAL AND METHODS: The rod-shaped, 2 × 2 mm in diameter and length, implanted materials were prepared from nacre particles of the giant oyster (…

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionSeaweed-derived Bioactive Compounds

New 2-in-1 Polyelectrolyte Step-by-Step Film Buildup without Solution Alternation: From PEDOT-PSS to Polyelectrolyte Complexes

Christine de Saint-Aubin、Joseph Hemmerlé、Fouzia Boulmedais 等 6 位作者2012-05-17Langmuir

Although never emphasized and increasingly used in organic electronics, PEDOT-PSS (poly(3,4-ethylenedioxythiophene)-poly(styrene sulfonate)) layer-by-layer (lbl) film construction violates the alternation of polyanion and polycation rule stated as a prerequisit for a step-by-step film buildup. To demonstrate that this…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsPolymer Surface Interaction Studies

Intermolecular-Interaction-Dominated Solvation Behaviors of Liquid Monomers and Polymers in Gaseous and Supercritical Carbon Dioxide

Jian‐Gang Chen、Xuan Liu、Zhong-Wen Liu 等 10 位作者2012-05-17Macromolecules

The strong desire for the extensive application of supercritical carbon dioxide (scCO 2 ) as an environmentally benign solvent in polymers synthesis and processing has spurred numerous attempts to discern and improve its solvability toward monomers as well as polymers. The detailed solvation processes along with the p…

Phase Equilibria and ThermodynamicsCarbon dioxide utilization in catalysisPolymer Foaming and Composites

4D Electron Microscopy Visualization of Anisotropic Atomic Motions in Carbon Nanotubes

Sang Tae Park、David J. Flannigan、Ahmed H. Zewail2012-05-17Journal of the American Chemical Society

We report the anisotropic atomic expansion dynamics of multi-walled carbon nanotubes, using 4D electron microscopy. From time-resolved diffraction on the picosecond to millisecond scale, following ultrafast heating at the rate of 10(13) K/s, it is shown that nanotubes expand only in the radial (intertubule) direction,…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Theoretical Study on Photoisomerization Effect with a Reversible Nonlinear Optical Switch for Dithiazolylarylene

Ping Song、Aihua Gao、Panwang Zhou 等 4 位作者2012-05-17The Journal of Physical Chemistry A

DFT and TDDFT methods have been performed to investigate the photoisomerization effect for dithiazolylarylene on solution. The weak S···N interaction and CH···N hydrogen bond restrain the rotation of the side-chain thiazolyl ring in open-isomer 1a, the higher stability of which prefers to show a high quantum yield of…

Radical Photochemical ReactionsPhotochemistry and Electron Transfer StudiesPhotochromic and Fluorescence Chemistry

Toughening of unmodified polyvinylchloride through the addition of nanoparticulate calcium carbonate and titanate coupling agent

I. Kemal、Alan J. Whittle、R.P. Burford 等 5 位作者2012-05-17Journal of Applied Polymer Science

Abstract PVC/CaCO 3 polymer nanocomposites of differing compositions were produced using a two‐roll mill and compression molding. In all formulations, 0.6 phr of titanate was incorporated to assist dispersion during processing. The morphology was observed using transmission electron microscopy, and the static and dyna…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Adhesion and Barrier Performance of Novel Barrier Adhesives Used in Multilayered High-Barrier Laminates

Marion Schmidt、Norbert Rodler、Oliver Miesbauer 等 8 位作者2012-05-17Journal of Adhesion Science and Technology

Flexible packaging films for highly sensitive products that are to be protected against moisture and oxygen need high barrier materials. In the food and pharmaceutical packaging industries, barrier films, which contain a single inorganic layer on top of a polymeric substrate, provide sufficient barrier. For the protec…

Epoxy Resin Curing ProcessesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Tuning the oxidation states of copper ions (+I/+II) to construct different Keggin-based topology structures

Ai‐Xiang Tian、Xiaoling Lin、Yujing Liu 等 7 位作者2012-05-17Journal of Coordination Chemistry

Ai-Xiang Tiana*, Xiao-Ling Lina, Yu-Jing Liua, Gui-Ying Liub, Jun Yinga, Xiu-Li Wanga & Hong-Yan Lina a Department of Chemistry , Bohai University , Jinzhou 121000 , P.R. China b Liaoning Ocean and Fisheries Science Research Institute , DaLian 116023 , P.R. China * E-mail: tianax717@163.com Through tuning the oxidatio…

Metal-Organic Frameworks: Synthesis and ApplicationsConducting polymers and applicationsPolyoxometalates: Synthesis and Applications

Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination

S. Anabuki、Sumito Tokuji、Naoki Aratani 等 4 位作者2012-05-17Organic Letters

Direct meso-alkynylation of β,β'-dipyridylporphyrin with various alkynyllithium reagents has been achieved, in which the β,β'-dipyridyl groups play an important role in facilitating the nucleophilic addition of the reagents through double coordination. This method enabled the synthesis of a meso-ethynylene-bridged dip…

Porphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent MaterialsSurface Chemistry and Catalysis

Surface Modification of a Photo-Definable Epoxy Resin with Polydopamine to Improve Adhesion with Electroless Deposited Copper

David Schaubroeck、Emilie Van den Eeckhout、Johan De Baets 等 6 位作者2012-05-17Journal of Adhesion Science and Technology

This paper describes the influence of polydopamine surface modifications on the adhesion strength of electroless deposited copper on roughened epoxy resin substrates. The surfaces are characterized with XPS and ToF-S-SIMS. Next, a thorough investigation of the copper–epoxy interface is performed using SEM. Both the po…

Corrosion Behavior and InhibitionPolymer Surface Interaction StudiesMolecular Junctions and Nanostructures

Influence of flow rate on different properties of diamond-like nanocomposite thin films grown by PECVD

Tuhin Subhra Santra、Tarun Kanti Bhattacharyya、Fan‐Gang Tseng 等 4 位作者2012-05-17AIP Advances

Diamond-like nanocomposite (DLN) thin films were deposited on pyrex glass substrate using different flow rate of haxamethyldisiloxane (HMDSO) based liquid precursor with nitrogen gas as a glow discharged decomposition by plasma enhanced chemical vapor deposition (PECVD) technique. The significant influence of differen…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchAdvanced materials and composites

Covalent Functionalization of Single-Walled Carbon Nanotubes with Thermoresponsive Core Cross-Linked Polymeric Micelles

Yonggui Li、Duanguang Yang、Alex Adronov 等 6 位作者2012-05-17Macromolecules

A facile method for the covalent functionalization of single-walled carbon nanotubes (SWNTs) with thermoresponsive core cross-linked (CCL) polymeric micelles is presented. This method is based on SWNT functionalization as well as polymer self-assembly. The copolymer, poly( N,N -dimethylacrylamide)- b -poly( N -isoprop…

Carbon Nanotubes in CompositesGraphene research and applicationsConducting polymers and applications

Group 13 β-Ketoiminate Compounds: Gallium Hydride Derivatives As Molecular Precursors to Thin Films of Ga2O3

David Pugh、Peter Marchand、Ivan P. Parkin 等 4 位作者2012-05-17Inorganic Chemistry

Bis(β-ketoimine) ligands, [R{N(H)C(Me)-CHC(Me)═O}(2)] (L(1)H(2), R = (CH(2))(2); L(2)H(2), R = (CH(2))(3)), linked by ethylene (L(1)) and propylene (L(2)) bridges have been used to form aluminum, gallium, and indium chloride complexes [Al(L(1))Cl] (3), [Ga(L(n))Cl] (4, n = 1; 6, n = 2) and [In(L(n))Cl] (5, n = 1; 7, n…

Metal-Organic Frameworks: Synthesis and ApplicationsSemiconductor materials and devicesGa2O3 and related materials

Explicit incorporation of cross-slip in a dislocation density-based crystal plasticity model

Alankar Alankar、David P. Field、Hussein M. Zbib2012-05-17The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

We present a crystal plasticity model that incorporates cross-slip of screw dislocations explicitly based on dislocation densities. The residence plane of screw dislocations is determined based on a probability function defined by activation energy and activation volume of cross-slip. This enables the redistribution o…

Microstructure and mechanical propertiesMetal Forming Simulation TechniquesHigh-Velocity Impact and Material Behavior

Ternary Stereocomplex Formation of One l-Configured and Two d-Configured Optically Active Polyesters, Poly(l-2-hydroxybutanoic acid), Poly(d-2-hydroxybutanoic acid), and Poly(d-lactic acid)

Hideto Tsuji、Mao Hosokawa、Yuzuru Sakamoto2012-05-17ACS Macro Letters

The ternary stereocomplex formation of optically active polyesters, l-configured poly(l-2-hydroxybutanoic acid) [P(l-2HB)] and d-configured poly(d-2-hydroxybutanoic acid) [P(d-2HB)] and poly(d-lactic acid) (PDLA), is reported. Ternary P(l-2HB)/P(d-2HB)/PDLA blends were prepared by solution-casting to have a fixed cont…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysisBiopolymer Synthesis and Applications

State diagram of phase transition temperatures and solvent‐induced recovery behavior of shape‐memory polymer

Haibao Lu2012-05-17Journal of Applied Polymer Science

Abstract In this study we analyzed the phase and state transitions of shape‐memory polymers (SMPs)/solvent mixtures using the Flory–Huggins (FH) theory by extension of Vrentas and the Couchman–Karasz theory for glass transition, as well as Clausius–Clapeyron relation for melting transition. Using scaling relations of…

Conducting polymers and applicationsPolymer composites and self-healingPhotochromic and Fluorescence Chemistry

Incorporating Strong Polarity Minerals of Tourmaline with Carbon Nanotubes to Improve the Electrical and Electromagnetic Interference Shielding Properties

Zhaofeng Wu、Hua Wang、Kang Zheng 等 6 位作者2012-05-17The Journal of Physical Chemistry C

This paper describes a method for enhancing the electron transition among carbon nanotubes (CNTs) by integrating CNTs with a polar mineral tourmaline having spontaneous electric fields for conductive polymer composites. The thin polymer layer at the surfaces of CNTs raises the potential barrier of electron transition…

Carbon Nanotubes in CompositesGraphene research and applicationsElectromagnetic wave absorption materials