Nicholas E. Singh-Miller、Damian A. Scherlis、Nicola Marzari2006-09-28arXiv
The functionality of conjugated polymer systems often relies on oxidations or reductions, in most cases mediated by the presence of counterions. The effect that the common counterion hexafluorophosphate (PF6-) has on the intermolecular interactions between charged oligothiophenes is investigated here using ab initio q…
Materials Science
A. Vernes、B. L. Gyorffy、P. Weinberger2006-09-28arXiv
It is shown that a useful relativistic generalization of the conventional spin density for the case of moving electrons is the expectation value of the four-component Bargmann-Wigner polarization operator. An exact equation of motion for this quantity is derived, using the one-particle Dirac equation, and the relativi…
Materials Sciencecond-mat.other
Feng Liu、En Ma、Daqin Chen 等 5 位作者2006-09-28The Journal of Physical Chemistry B
To develop NaYF(4) as bulk luminescence material, transparent glass ceramics containing Er(3+): NaYF(4) nanocrystals were fabricated for the first time, and the influences of heat-treatment temperature and Er(3+) doping level on their upconversion luminescence were investigated. With increasing heating temperature, th…
Luminescence Properties of Advanced MaterialsGlass properties and applicationsRandom lasers and scattering media
Jie Cai、Yating Liu、Lina Zhang2006-09-28Journal of Polymer Science Part B Polymer Physics
Abstract Cellulose was dissolved rapidly in 4.6 wt % LiOH/15 wt % urea aqueous solution and precooled to –10 °C to create a colorless transparent solution. 13 C‐NMR spectrum proved that it is a direct solvent for cellulose rather than a derivative aqueous solution system. The result from transmission electron microsco…
Advanced Cellulose Research StudiesPolysaccharides and Plant Cell WallsMaterial Properties and Processing
Masud S. Huda、Lawrence T. Drzal、Manjusri Misra 等 4 位作者2006-09-28OpenAlex
Abstract This article presents the results of a study of the processing and physicomechanical properties of environmentally friendly wood‐fiber‐reinforced poly(lactic acid) composites that were produced with a microcompounding molding system. Wood‐fiber‐reinforced polypropylene composites were also processed under sim…
Polymer Nanocomposites and PropertiesNatural Fiber Reinforced Compositesbiodegradable polymer synthesis and properties
Boris N. Khlebtsov、Vladimir P. Zharov、Andrey Melnikov 等 5 位作者2006-09-28OpenAlex
Recently, several groups (Anderson, Halas, Zharov, and their co-workers, 2003; El-Sayed and co-workers, 2006) demonstrated, through pioneering results, the great potential of photothermal (PT) therapy for the selective treatment of cancer cells, bacteria, viruses, and DNA targeted with gold nanospheres, nanoshells, na…
Nanoparticle-Based Drug DeliveryGold and Silver Nanoparticles Synthesis and ApplicationsLaser-Ablation Synthesis of Nanoparticles
Pellegrino Musto、G. Ragosta、Gennaro Scarinzi 等 4 位作者2006-09-27High Performance Polymers
Polyimide/silica hybrids were prepared by a sol-gel process and were evaluated in terms of curing behavior, morphology, water sorption properties and mechanical performances at ambient and at higher temperatures. The spectroscopic examination showed that the presence of the inorganic phase catalyzes the imidization re…
Epoxy Resin Curing ProcessesSynthesis and properties of polymersSilicone and Siloxane Chemistry
Tan Chang-Long、Wei Cai、Jingchuan Zhu2006-09-27Chinese Physics Letters
The elastic properties and electronic structure of B2 phase binary TiM (M = Fe, Co, Ni, Pd, Pt and Au) and ternary Ti50Ni43.75Pd6.25, Ti50Ni43.75Cu6.25 shape memory alloys are studied by the plane-wave psedudopotential method within the local density approximation. The elastic constants and density of states are calcu…
Shape Memory Alloy TransformationsIntermetallics and Advanced Alloy PropertiesTitanium Alloys Microstructure and Properties
Nikolaos E. Zafeiropoulos、Richard Davies、Konrad Schneider 等 6 位作者2006-09-27Macromolecular Rapid Communications
Abstract Summary: The phenomenon of crazing in polymers has received considerable attention in the past as it is thought to play a pivotal role in determining the performance of polymers under load. One aspect of particular interest has been the interconnection between molecular structure, craze characteristics, and m…
Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesCultural Heritage Materials Analysis
Melania Bednarek、Przemysław Kubisa2006-09-27Journal of Polymer Science Part A Polymer Chemistry
The cationic polymerization of 2-hydroxymethyltetrahydrofuran proceeds with the elimination of water. This has been clearly observed with matrix-assisted laser desorption/ionization time-of-flight spectroscopy. In the spectra, a series of signals appears for each oligomer with molecular weights corresponding to the fo…
Mass Spectrometry Techniques and ApplicationsSynthetic Organic Chemistry MethodsDendrimers and Hyperbranched Polymers
Chandra Shekhar Pant、Rashmi Wagh、J. K. Nair 等 4 位作者2006-09-27Journal of Energetic Materials
A second-generation [G-2] terminally azido functionalized dendritic ester has been synthesized from a commercially available dendritic polyol BOLTORN® H20. Structural features were confirmed by IR, 1H NMR, and elemental analysis. The differential scanning calorimetry (DSC) analysis shows an acceptable thermal stabilit…
Polymer crystallization and propertiesEnergetic Materials and CombustionDendrimers and Hyperbranched Polymers
Wu Bo-Tao、Zhou Shi-Feng、Qiu Jian-Rong 等 7 位作者2006-09-27Chinese Physics Letters
We report on transparent Ni 2+ -doped MgO–Al 2 O 3 –SiO 2 glass ceramics with broadband infrared luminescence. Ni 2+ -doped MgO–Al 2 O 3 –SiO 2 glass is prepared by using the conventional method. After heat treatment at high temperature, MgAl 2 O 4 crystallites are precipitated, and their average size is about 4.3 nm.…
Luminescence Properties of Advanced MaterialsGlass properties and applicationsNuclear materials and radiation effects
Guey‐Sheng Liou、Sheng‐Huei Hsiao、Yi‐Kai Fang2006-09-27Journal of Polymer Science Part A Polymer Chemistry
Abstract Two new phenyl‐ and naphthyl‐substituted rigid‐rod aromatic dicarboxylic acid monomers, 2,2′‐diphenylbiphenyl‐4,4′‐dicarboxylic acid ( 4 ) and 2,2′‐di(1‐naphthyl)biphenyl‐4,4′‐dicarboxylic acid ( 5 ), were synthesized by the Suzuki coupling reaction of 2,2′‐diiodobiphenyl‐4,4′‐dicarboxylic acid dimethyl ester…
Organic Electronics and PhotovoltaicsSynthesis and properties of polymersSilicone and Siloxane Chemistry
Atsushi Morikawa、Taka-aki Furukawa、Yukari Moriyama2006-09-27High Performance Polymers
Aromatic polyimides having phenyl groups at the 2- and 2′-positions of the diphenyl ether moiety were synthesized from bis(4-amino-2-biphenyl) ether and various tetracarboxylic dianhydrides by the conventional two-step procedure using N-methyl-2-pyrrolidone (NMP) as a solvent [Morikawa et al., Polymer Journal37, 759,…
Epoxy Resin Curing ProcessesSynthesis and properties of polymersTribology and Wear Analysis
Y. G. Zhu、Z. Q. Li、Jia Jun Gu 等 5 位作者2006-09-27Journal of Polymer Science Part B Polymer Physics
Abstract The polyaniline/iron nanocomposites with both conducting and magnetic properties have been prepared by cryomilling (high‐energy ball milling under cryogenic temperature), in which the average size of iron grains attains 20 nm. Enhanced coercivity of 206 Oe and decreased conductivity of 0.1 S cm −1 at room tem…
Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsAnalytical Chemistry and Sensors
Ying Liu、Qingyan Xu、Baicheng Liu2006-09-27Tsinghua Science & Technology
A cellular automaton (CA)-based model for the precise two-dimensional simulation of the dendritic morphology of cast aluminum alloys was developed. Compared with previous CA models, the new model considers the solidification process in more detail, solving the solute and heat conservation equations in the modeling dom…
Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenaMetallurgy and Material Forming
Linlin Xu、Gregory M. Ferrence、Timothy D. Lash2006-09-27Organic Letters
Acid-catalyzed condensation of a pyrrole bisacrylaldehyde with a tripyrrane, followed by oxidation with ferric chloride, gave a [22]porphyrin-(3.1.1.3). This stretched macrocycle shows a strong diamagnetic ring current by (1)H NMR spectroscopy and gives red-shifted porphyrin-like UV-vis spectra; coordination with pall…
Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials
V. Vergadou、George Pistolis、Adonis Michaelides 等 7 位作者2006-09-27Crystal Growth & Design
The self-assembly of four symmetrically substituted tri-aryl-benzene derivatives of formula C 24 H 15 X 3, where X = H ( 1 ), Cl ( 2 ), COOMe ( 3 ), and COOH ( 4 ), was studied as a function of the substituent X. Crystal packing analysis of compounds 1 − 3 showed that in 1, there are no strong face-to-face stacking in…
Molecular Sensors and Ion DetectionCrystallography and molecular interactionsLuminescence and Fluorescent Materials
Mihir M. Wadkar、Vijay R. Chaudhari、Santosh K. Haram2006-09-27The Journal of Physical Chemistry B
Stable organosols of silver nanoparticles (AgNPs) without any capping agents have been synthesized by an electrochemical dissolution of a sacrificing silver electrode in dimethyl sulfoxide (DMSO). The peak at 425 +/- 5 nm observed in the UV-vis spectra was attributed to the surface plasmon resonance for silver. The fo…
Gold and Silver Nanoparticles Synthesis and ApplicationsChalcogenide Semiconductor Thin FilmsElectrochemical Analysis and Applications
Jin Uk Ha、Myunghun Kim、Jeongwoo Lee 等 6 位作者2006-09-27Journal of Polymer Science Part A Polymer Chemistry
Abstract A novel approach to fabricate polymer brushes on the surface of carbon nanotubes (CNTs) is proposed. Carboxyl groups on the surface of chemically oxidized CNTs were reacted with hexamethylene diisocyanate, followed by a reaction with methacrylamide to give terminal vinyl groups‐functionalized CNTs, so called…
Carbon Nanotubes in CompositesAdvanced Sensor and Energy Harvesting MaterialsForce Microscopy Techniques and Applications