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Property Relationships (property + relationships)
Selected AbstractsSynthesis,Structure,Property Relationships for Hyperbranched Aminosilica CO2 AdsorbentsADVANCED FUNCTIONAL MATERIALS, Issue 23 2009Jeffrey H. Drese Abstract Hyperbranched aminosilica (HAS) adsorbents are prepared via the ring-opening polymerization of aziridine in the presence of mesoporous silica SBA-15 support. The aminopolymers are covalently bound to the silica support and capture CO2 reversibly in a temperature swing process. Here, a range of HAS materials are prepared with different organic loadings. The effects of organic loading on the structural properties and CO2 adsorption properties of the resultant hybrid materials are examined. The residual porosity in the HAS adsorbents after organic loading, as well as the molecular weights and degrees of branching for the separated aminopolymers, are determined to draw a relationship between adsorbent structure and performance. Humid adsorption working capacities and apparent adsorption kinetics are determined from experiments in a packed-bed flow system monitored by mass spectrometry. Dry adsorption isotherms are presented for one HAS adsorbent with a high amine loading at 35 and 75,°C. These combined results establish the relationships between adsorbent synthesis, structure, and CO2 adsorption properties of the family of HAS materials. [source] Microstructure,Property Relationships for Low-Voltage VaristorsINTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY, Issue 2010Wen-Hsuan Pan The low-voltage varistors with various layer thickness are prepared by laminating thin ZnO-based ceramic layers and AgPd electrodes together. The breakdown voltage dose not exhibit linear relationship with layer thickness. It is due to that the presence of the AgPd electrodes enhances the growth of ZnO grains. As some ZnO grains are large enough to touch the upper and lower electrodes, the breakdown voltage of the varistor is only 3.7 V. The nonlinear coefficient of the low-voltage varistor is 33. Such nonlinear current,voltage behavior is mainly contributed by the interface between the AgPd electrode and ZnO grains. [source] ChemInform Abstract: Polar Hexagonal Tungsten Oxide (HTO) Materials: (1) Synthesis, Characterization, Functional Properties, and Structure,Property Relationships in A2(MoO3)3(SeO3) (A: Rb+ and Tl+) and (2) Classification, Structural Distortions, and Second-Harmonic Generating Properties of Known Polar HTOs.CHEMINFORM, Issue 33 2010Hong Youn Chang Abstract Crystals of the title compounds are prepared from mixtures of MoO3, A2CO3 (A: Rb, Tl), SeO2, and H2O (autoclave, 230 °C, 3 d, 50% and 80% yields for the Rb and Tl compounds, respectively). [source] ChemInform Abstract: New Polar Oxides: Synthesis, Characterization, Calculations, and Structure,Property Relationships in RbSe3V3O12 and TlSe3V3O12.CHEMINFORM, Issue 31 2009Hong Young Chang Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" option. The original article is trackable via the "References" option. [source] Structure Property Relationships in the ATi2O4 (A: Na, Ca) Family of Reduced Titanates.CHEMINFORM, Issue 1 2007Margret J. Geselbracht Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF. [source] Diphenylamino End-Capped Oligofluorenes with Enhanced Functional Properties for Blue Light Emission: Synthesis and Structure,Property RelationshipsCHEMISTRY - A EUROPEAN JOURNAL, Issue 11 2005Zhong Hui Li Abstract A novel series of monodisperse asymmetrically and symmetrically substituted diphenylamino end-capped oligofluorenes, OF(2)-NPhR, R = H or An (An = 9-anthryl) and OF(n)-NPh, n = 2,4, has been synthesized by a convergent approach using palladium-catalyzed Suzuki cross-coupling. End-capping of oligofluorenes with diphenylamino group(s) has been shown to offer advantages in terms of lowering their first ionization potentials, enhancing thermal stability, and inducing good amorphous morphological stability. By tuning the number of diphenylamino end-caps and the chain length, the optimal conjugated length for optical and luminescence properties has been determined. Of all the hitherto reported oligofluorenes capable of serving as non-doped blue emitters, OF(3)-NPh, with an optimal conjugated length, exhibits some of the best hole-transport and blue-emitting properties. A maximum luminance of 7500 cd,m,2 and a luminance efficiency up to 1.8 cd,A,1 have been achieved. [source] Synthesis and Structure/Property Relationships of Regioselective 2- O -, 3- O - and 6- O -Ethyl CellulosesMACROMOLECULAR BIOSCIENCE, Issue 6 2010Hiroshi Kamitakahara Abstract Regioselectively ethylated celluloses, 2- O - (1), 3- O - (2), and 6- O -ethyl- (3) celluloses were synthesized via ring-opening polymerization of glucopyranose orthopivalate derivatives. The number-average degrees of polymerization (DPns) of compounds 1 and 2 were calculated to be 10.6 and 49.4, respectively. Three kinds of compound 3 with different DPns were prepared: DPns,=,12.9 (3-1), 60.3 (3-2), and 36.1 (3-3). The 2- O -, 3- O -, and 6- O -ethylcelluloses were soluble in water, confirmed by NMR analysis. Furthermore, the 3- O - (2), and 6- O -ethyl- (3-2) celluloses showed thermo-responsive aggregation behavior and had a lower critical solution temperature (LCST) at about 40,°C and 70,°C, respectively, based on the results from turbidity tests and DSC measurements. The 6- O -ethyl-cellulose (3-3) with DPn,=,36.1 and DPw,=,54.6 showed gelation behavior over approx 70,°C, whereas the 6- O -ethyl-celluloses 3-1 and 3-2 with lower and higher molecular weight, such as DPns 12.9 and 60.3, did not show gelation behavior at this temperature. It was revealed that the position of ethyl group affected the phase transition temperature. According to our experiments, the 3- O -ethyl and 6- O -ethyl groups along the cellulose chains caused the thermo-responsive property of their aqueous solutions. The appropriate DP of the regioselective 6- O -ethyl-cellulose existed for gelation of the aqueous solution. [source] Microstructure,magnetic properties relationships in nanocrystalline Nd,Fe,Co,Ge,B annealed ribbonsPHYSICA STATUS SOLIDI (A) APPLICATIONS AND MATERIALS SCIENCE, Issue 2 2006R. Gholamipour Abstract In this work, the effects of Ge addition on the microstructure and magnetic properties of some rapidly quenched Nd13.5Fe(74.9,z )Co5.5Gez B6 alloys with z = 0.0, 0.18, 0.36, 0.54, 0.72 and 0.9 prepared by a rapid solidification method were studied. For the first time, detailed microstructural study of nanometer size grain boundaries enriched with very small amount of Ge as well as Nd was carried out using 3 Dimensional Atom Probe (3DAP) technique. The magnitudes of Br and (BH )max were seen to increase for the samples substituted with up to 0.36 at% Ge in spite of the fact that Ge is a non-magnetic atom. This was related to the observed change of Co concenteration in matrix phase. However, the magnetic properties deteriorated for the samples with Ge addition beyond 0.36 at%. The observed magnetic properties are discussed in relation with the observed microstructural changes monitored by 3DAP and TEM techniques. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Molecular orientation, crystallinity, and flexural modulus correlations in injection molded polypropylene/talc compositesPOLYMERS FOR ADVANCED TECHNOLOGIES, Issue 5 2010Marcia Cristina Branciforti Abstract In order to promote better understanding of the structure-mechanical properties relationships of filled thermoplastic compounds, the molecular orientation and the degree of crystallinity of injection molded talc-filled isotactic polypropylene (PP) composites were investigated by X-ray pole figures and wide-angle X-ray diffraction (WAXD). The usual orientation of the filler particles, where the plate planes of talc particles are oriented parallel to the surface of injection molding and influence the orientation of the , -PP crystallites was observed. The PP crystallites show bimodal orientation in which the c - and a*-axes are mixed oriented to the longitudinal direction (LD) and the b -axis is oriented to the normal direction (ND). It was found that the preferential b -axis orientation of PP crystallites increases significantly in the presence of talc particles up to 20,wt% in the composites and then levels-off at higher filler content. WAXD measurements of the degree of crystallinity through the thickness of injection molded PP/talc composites indicated an increasing gradient of PP matrix crystallinity content from the core to the skin layers of the molded plaques. Also, the bulk PP crystallinity content of the composites, as determined by DSC measurements, increased with talc filler concentration. The bulk crystallinity content of PP matrix and the orientation behavior of the matrix PP crystallites and that of the talc particles in composites are influenced by the presence of the filler content and these three composite's microstructure modification factors influence significantly the flexural moduli and the mechanical stiffness anisotropy data (ELD/ETD) of the analyzed PP/talc composites. Copyright © 2009 John Wiley & Sons, Ltd. [source] High-Performance Air-Stable n-Type Organic Transistors Based on Core-Chlorinated Naphthalene Tetracarboxylic DiimidesADVANCED FUNCTIONAL MATERIALS, Issue 13 2010Joon Hak Oh Abstract Core-chlorinated naphthalene tetracarboxylic diimides (NDIs) with fluoroalkyl chains are synthesized and employed for n-channel organic thin-film transistors (OTFTs). Structural analyses of the single crystals and thin films are performed and their charge-transport behavior is investigated in terms of structure,property relationships. NDIs with two chlorine substituents are shown to exhibit a herringbone structure with a very close ,-plane distance (3.3,3.4,Å), a large ,-stack overlap (slipping angle ca. 62°), and high crystal densities (2.046,2.091,g,cm,3). These features result in excellent field-effect mobilities of up to 1.43,cm2,V,1,s,1 with minimal hysteresis and high on,off ratios (ca. 107) in air. This is similar to the highest n-channel mobilities in air reported so far. Despite the repulsive interactions of bulky Cl substituents, tetrachlorinated NDIs adopt a slip-stacked face-to-face packing with an interplanar distance of around 3.4,Å, resulting in a high mobility (up to 0.44,cm2,V,1,s,1). The air-stability of dichlorinated NDIs is superior to that of tetrachlorinated NDIs, despite of their higher LUMO levels. This is closely related to the denser packing of the fluorocarbon chains of dichlorinated NDIs, which serves as a kinetic barrier to the diffusion of ambient oxidants. Interestingly, these NDIs show an optimal performance either on bare SiO2 or on octadecyltrimethoxysilane (OTS)-treated SiO2, depending on the carbon number of the fluoroalkyl chains. Their synthetic simplicity and processing versatility combined with their high performance make these semiconductors highly promising for practical applications in flexible electronics. [source] Electronic Structure of Self-Assembled Monolayers on Au(111) Surfaces: The Impact of Backbone PolarizabilityADVANCED FUNCTIONAL MATERIALS, Issue 23 2009LinJun Wang Abstract Modifying metal electrodes with self-assembled monolayers (SAMs) has promising applications in organic and molecular electronics. The two key electronic parameters are the modification of the electrode work function because of SAM adsorption and the alignment of the SAM conducting states relative to the metal Fermi level. Through a comprehensive density-functional-theory study on a series of organic thiols self-assembled on Au(111), relationships between the electronic structure of the individual molecules (especially the backbone polarizability and its response to donor/acceptor substitutions) and the properties of the corresponding SAMs are described. The molecular backbone is found to significantly impacts the level alignment; for molecules with small ionization potentials, even Fermi-level pinning is observed. Nevertheless, independent of the backbone, polar head-group substitutions have no effect on the level alignment. For the work-function modification, the larger molecular dipole moments achieved when attaching donor/acceptor substituents to more polarizable backbones are largely compensated by increased depolarization in the SAMs. The main impact of the backbone on the work-function modification thus arises from its influence on the molecular orientation on the surface. This study provides a solid theoretical basis for the fundamental understanding of SAMs and significantly advances the understanding of structure,property relationships needed for the future development of functional organic interfaces. [source] Development and Testing of Energetic Materials: The Concept of High Densities Based on the Trinitroethyl FunctionalityADVANCED FUNCTIONAL MATERIALS, Issue 3 2009Michael Göbel Abstract The development of new energetic materials is an emerging area of materials chemistry facilitated by a worldwide need to replace materials used at present, due to environmental considerations and safety requirements, while at the same time securing high performance. The development of such materials is complex, owing to the fact that several different and apparently mutually exclusive material properties have to be met in order for a new material to become widely accepted. In turn, understanding the basic principles of structure property relationships is highly desirable, as such an understanding would allow for a more rational design process to yield the desired properties. This article covers the trinitroethyl functionality and its potential for the design of next generation energetic materials, and describes relevant aspects of energetic materials chemistry including theoretical calculations capable of reliably predicting material properties. The synthesis, characterization, energetic properties, and structure property relationships of several new promising compounds displaying excellent material properties are reported with respect to different kinds of applications and compared to standard explosives currently used. Based on a review of trinitroethyl-containing compounds available in the literature, as well as this new contribution, it is observed that high density can generally be obtained in a more targeted manner in energetic materials taking advantage of noncovalent bonding interactions, a prerequisite for the design of next generation energetic materials. [source] Complex Oxide Interfaces: Determination of Electronic Structure of Oxide,Oxide Interfaces by Photoemission Spectroscopy (Adv. Mater.ADVANCED MATERIALS, Issue 26-27 201027/2010) Precise understanding of structure , property relationships at interfaces is critical for electronic devices, particularly at the nanometer scale, and can be achieved by a synergy of high-quality growth, advanced characterization, and first principles theory (on page 2950). [source] Layer-by-Layer Hydrogen-Bonded Polymer Films: From Fundamentals to ApplicationsADVANCED MATERIALS, Issue 30 2009Eugenia Kharlampieva Abstract Recent years have seen increasing interest in the construction of nanoscopically layered materials involving aqueous-based sequential assembly of polymers on solid substrates. In the booming research area of layer-by-layer (LbL) assembly of oppositely charged polymers, self-assembly driven by hydrogen bond formation emerges as a powerful technique. Hydrogen-bonded (HB) LbL materials open new opportunities for LbL films, which are more difficult to produce than their electrostatically assembled counterparts. Specifically, the new properties associated with HB assembly include: 1) the ease of producing films responsive to environmental pH at mild pH values, 2) numerous possibilities for converting HB films into single- or two-component ultrathin hydrogel materials, and 3) the inclusion of polymers with low glass transition temperatures (e.g., poly(ethylene oxide)) within ultrathin films. These properties can lead to new applications for HB LbL films, such as pH- and/or temperature-responsive drug delivery systems, materials with tunable mechanical properties, release films dissolvable under physiological conditions, and proton-exchange membranes for fuel cells. In this report, we discuss the recent developments in the synthesis of LbL materials based on HB assembly, the study of their structure,property relationships, and the prospective applications of HB LbL constructs in biotechnology and biomedicine. [source] Magnus' Green Salt Revisited: Impact of Platinum,Platinum Interactions on Electronic Structure and Carrier Mobilities,ADVANCED MATERIALS, Issue 15 2006E.-G. Kim Magnus' green salt is the prototype of a class of organic,inorganic hybrid semiconducting materials that combine attractive charge-transport properties and processability. By using density-functional-theory methods, the electronic structure of Magnus' green salt is investigated, in particular the nature of the interplatinum interactions (see figure). In conjunction with time-of-flight measurements of the carrier mobilities, key structure,property relationships for these materials are re-established. [source] Microstructure and physical properties of open-cell polyolefin foamsJOURNAL OF APPLIED POLYMER SCIENCE, Issue 2 2009M. A. Rodriguez-Perez Abstract The cellular structure, physical properties, and structure,property relationships of novel open-cell polyolefin foams produced by compression molding and based on blends of an ethylene/vinyl acetate copolymer and a low-density polyethylene have been studied and compared with those of closed-cell polyolefin foams of similar chemical compositions and densities and with those of open-cell polyurethane foams. Properties such as the elastic modulus, collapse stress, energy absorbed in mechanical tests, thermal expansion, dynamic mechanical response, and acoustic absorption have been measured. The experimental results show that the cellular structure of the analyzed materials has interconnected cells due to the presence of large and small holes in the cell walls, and this structure is clearly different from the typical structure of open-cell polyurethane foams. The open-cell polyolefin foams under study, in comparison with closed-cell foams of similar densities and chemical compositions, are good acoustic absorbers; they have a significant loss factor and lower compressive strength and thermal stability. The physical reasons for this macroscopic behavior are analyzed. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009 [source] Silicon carbonitride thin-film coatings fabricated by remote hydrogen,nitrogen microwave plasma chemical vapor deposition from a single-source precursor: Growth process, structure, and properties of the coatings,JOURNAL OF APPLIED POLYMER SCIENCE, Issue 1 2007A. M. Wrobel Abstract Silicon carbonitride (Si:C:N) films were produced by remote hydrogen,nitrogen microwave plasma chemical vapor deposition (RP-CVD) from a 1,1,3,3-tetramethyldisilazane precursor with a nitrogen content {[N2]/([H2] + [N2])} of 0.88 in the plasma-generating mixture and a substrate temperature in the range of 30,400°C. The effects of the substrate temperature on the rate and yield of the RP-CVD process and chemical structure (examined by Fourier transform infrared spectroscopy) of the resulting films were investigated. The Si:C:N film properties were characterized in terms of the density, hardness, elastic modulus, and friction coefficient. With the IR structural data, reasonable structure,property relationships were determined. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 105: 122,129, 2007 [source] Toward robust QSPR models: Synergistic utilization of robust regression and variable eliminationJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 6 2008Rainer Grohmann Abstract Widely used regression approaches in modeling quantitative structure,property relationships, such as PLS regression, are highly susceptible to outlying observations that will impair the prognostic value of a model. Our aim is to compile homogeneous datasets as the basis for regression modeling by removing outlying compounds and applying variable selection. We investigate different approaches to create robust, outlier-resistant regression models in the field of prediction of drug molecules' permeability. The objective is to join the strength of outlier detection and variable elimination increasing the predictive power of prognostic regression models. In conclusion, outlier detection is employed to identify multiple, homogeneous data subsets for regression modeling. © 2007 Wiley Periodicals, Inc. J Comput Chem 2008 [source] ANTIMICROBIAL, PHYSICAL AND MECHANICAL PROPERTIES OF CHITOSAN-BASED FILMS INCORPORATED WITH THYME, CLOVE AND CINNAMON ESSENTIAL OILSJOURNAL OF FOOD PROCESSING AND PRESERVATION, Issue 6 2009M.H. HOSSEINI ABSTRACT Chitosan-based films containing thyme, clove and cinnamon essential oils at 0.5, 1 and 1.5% v/v were prepared to examine their antibacterial, physical and mechanical properties. Scanning electron microscopy was carried out to explain structure,property relationships. Films containing thyme essential oil revealed larger inhibition zones than those containing clove and cinnamon essential oils against gram-positive and gram-negative bacteria tested. Films were more effective against gram-positive bacteria than gram-negative. Incorporating thyme and clove essential oils into chitosan-based films increased moisture content (from 17.80,28.38%), solubility in water (25.97,30.62%), water vapor transmission rate (0.00233,0.00571 g/s/m2) and elongation at break (25.31,42.70%) of films. Cinnamon-enriched films had opposite changes such as increase in tensile strength (from 12.2,21.35 MPa) and decrease in moisture content (17.80,9.36%) and solubility in water (25.9,14.21%) of films. PRACTICAL APPLICATIONS Microbial growth on food surfaces is a major cause of food spoilage. Combining antimicrobial agents such as plant essential oils directly into a food packaging polymer is a form of active packaging. These films possess the potential for improving microbial stability of foods by acting on the food surface upon contact. Because of the effect of direct addition of plant essential oils to food on sensory characteristics of packaged food, incorporation of essential oils into films may have additional applications in food packaging. [source] Synthesis and properties of gradient copolymers based on 2-phenyl-2-oxazoline and 2-nonyl-2-oxazolineJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 23 2009Hanneke M. L. Lambermont-Thijs Abstract In this study, the structure,property relationships for a series of statistical 2-nonyl-2-oxazoline (NonOx) and 2-phenyl-2-oxazoline (PhOx) copolymers were investigated for the first time. The copolymerization kinetics were studied and the reactivity ratios were calculated to be rNonOx = 7.1 ± 1.4 and rPhOx = 0.02 ± 0.1 revealing the formation of gradient copolymers. The synthesis of a systematical series of NonOx,PhOx copolymers is described, whereby the amount of NonOx was increased in steps of 10 mol %. The thermal and surface properties were investigated for this series of well-defined copolymers. The thermal properties revealed a linear decrease in glass transition temperature for copolymers containing up to 39 wt % NonOx. Furthermore, the melting temperature of the copolymers containing 0 to 55 wt % PhOx linearly decreased most likely due to disturbance of the NonOx crystalline domains by incorporation of PhOx in the NonOx part of the copolymer. The surface energies of spincoated polymer films revealed a strong decrease in surface energy upon incorporation of NonOx in the copolymers due to strong phase separation between NonOx and PhOx allowing the NonOx chains to orient to the surface. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 6433,6440, 2009 [source] Atomic Structures and Electrical Properties of ZnO Grain BoundariesJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 2 2007Yukio Sato Various properties of ceramics can be significantly influenced by the presence of grain boundaries. The influence on the properties is closely related to the grain-boundary atomic structures. As different grain boundaries have different atomic structure, different grain boundaries have different influence on the properties. It is difficult to examine the atomic structure and properties of individual grain boundaries in ceramics. In order to understand the atomic,structure,property relationships, well-defined single grain boundaries should be characterized. In the present paper, we review our recent results on the investigations of atomic structures and electrical properties of ZnO single grain boundaries. The relationships between the atomic structures and the electrical properties were investigated using ZnO bicrystals, whose grain-boundary orientation relationship and grain-boundary planes can be arbitrarily controlled. The discussion focuses on the microscopic origin of nonlinear current,voltage (I,V) characteristics across ZnO grain boundaries. High-resolution transmission electron microscopy (HRTEM) observations and lattice-statics calculations revealed the atomic structures of the undoped ZnO [0001] ,7 and ,49 grain boundaries, enabling a comparison between coincidence site lattice (CSL) boundaries with small and large periodicity. These grain boundaries contained the common structural units (SUs) featuring atoms with coordination numbers that are unusual in ZnO. The ,49 boundary was found to have characteristic arrangement of the SUs, where two kinds of the SUs are alternatively formed. It is considered that the characteristic arrangement was formed to effectively relax the local strain in the vicinity of the boundary. Such a relaxation of local strain is considered to be one of dominant factors to determine the SU arrangements along grain boundaries. I,V measurements of the undoped ZnO bicrystals showed linear I,V characteristics. Although the coordination and bond lengths of atoms in the grain boundaries differ from those in the bulk crystal, this does apparently not generate deep unoccupied states in the band gap. This indicates that atomic structures of undoped ZnO grain boundaries are not responsible for the nonlinear I,V characteristics of ZnO ceramics. On the other hand, the nonlinear I,V characteristic appeared when doping the boundaries with Pr. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) image of Pr-doped boundaries revealed that Pr segregates to specific atomic columns, substituting Zn at the boundary. However, the Pr itself was not the direct origin of the nonlinear I,V characteristics, as the Pr existed in the three-plus state and would not produce acceptor states in the boundary. First-principles calculations revealed that Pr doping instead promotes the formations of acceptor-like native defects, such as Zn vacancies. We believe that such acceptor-like native defects are microscopic origin of the nonlinear I,V characteristics. Investigations of various types of grain boundaries in the Pr and Co-codoped ZnO bicrystals indicated that the amounts of Pr segregation and the nonlinear I,V characteristics significantly depend on the grain-boundary orientation relationship. Larger amount of Pr segregation and, as a result, higher nonlinearity in I,V characteristics was obtained for incoherent boundaries. This indicates that Pr doping to incoherent boundaries is one of the guidelines to design the single grain boundaries with highly nonlinear I,V characteristics. Finally, a Pr and Co-codoped bicrystal with an incoherent boundary was fabricated to demonstrate a highly nonlinear I,V characteristic. This result indicates that ZnO single-grain-boundary varistors can be designed by controlling grain-boundary atomic structures and fabrication processes. Summarizing, our work firstly enabled us to gain a deeper understanding for the atomic structure of ZnO grain boundaries. Secondly, we obtained important insight into the origin of nonlinear I,V characteristics across the ZnO grain boundaries. And, finally, based on these results, we demonstrated the potential of this knowledge for designing and fabricating ZnO single-grain-boundary varistors. [source] Structure Determination in Colloidal Crystal Photonic Bandgap StructuresJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 6 2002John Ballato Structure/optical property relationships in photonic bandgap structures are evaluated by a novel combination of sample sectioning, microscopy, and image analysis. Disordered colloidal crystals of solution-derived, monosized SiO2 particles were sectioned by focused ion beam (FIB) milling and then imaged using field emission scanning electron microscopy (FE-SEM). Pair correlation and radial distribution functions of the particulate arrangement were generated directly from a binary color scale rendering of the FE-SEM images, therein defining the level of order or disorder in the structure. These experimentally obtained spatial correlation functions were used to compute the scattering spectral properties in an analogous, although inverse (i.e., solving the inverse scattering problem), method to that used in X-ray diffraction for structure determination. Using a first-order approximation to the scattering from a disordered structure, the bandwidth and midgap values for the colloidal crystal photonic bandgap materials were within 15% of those measured. This new methodology promises to provide a simple and direct approach for quantifying the structure/optical property relationships in ordered and disordered photonic crystals directly from standard microstructural imaging techniques. [source] Organoclay Nanocomposites from Ethylene,Acrylic Acid CopolymersMACROMOLECULAR MATERIALS & ENGINEERING, Issue 10 2006Sara Filippi Abstract Summary: A study of the structure,property relationships for nanocomposites prepared by melt compounding from ethylene,acrylic acid copolymers of varied composition and molecular architecture, and organoclays modified with different ammonium ions has been made by DSC, POM, SEM, TEM, WAXD, and rheological and mechanical tests. Within the series of clays investigated, the best levels of dispersion were displayed by those organically modified with quaternary ammonium ions containing two long alkyl tails. The relevant nanocomposites were shown to possess mixed exfoliated and intercalated morphology. The spacing of the intercalated clay stacks, most of which comprise few silicate layers, was found to be independent of clay loading, in the range of 2,50 phr, and to change with the molecular architecture of the matrix polymer. An indication that the excess surfactant present in some of the clays, and the organic material added in others to expand the interlayer spacing, were expelled from the clay galleries during melt blending and acted as plasticisers for the matrix polymer, was obtained from WAXD and rheological characterisations. TEM micrograph of the nanocomposite of EAA1 with 11 phr of 15A. [source] Promising Optoelectronic Materials: Polymers Containing Phosphorescent Iridium(III) ComplexesMACROMOLECULAR RAPID COMMUNICATIONS, Issue 9-10 2010Qiang Zhao Abstract As one of the most promising optoelectronic materials, polymers that contain phosphorescent IrIII complexes have attracted more and more interest in recent years. They are a class of well-known electroluminescent materials with excellent performance. So far, efficient green-, red-, and white-emitting polymer light-emitting diodes based on polymers with on-chain IrIII complexes have been realized successfully. For the realization of this class of polymer material, IrIII complexes (as energy guest) can be introduced into the main-chain or side-chain of polymers (as energy host). In this article, we summarize the design principles, synthetic routes, structure,property relationships, and applications in optoelectronic devices of polymers that contain phosphorescent IrIII complexes. [source] Poly(ester-urethane)s synthesized using polyoxalate diolsPOLYMER ENGINEERING & SCIENCE, Issue 2 2005Hideho Tanaka Amorphous poly(ester-urethane)s (PEUs) were synthesized by reacting polyoxalate diols (PODs), which are oligoester diols prepared from condensation polymerization of dimethyl oxalate (DMO) and alkane diols, with 4, 4,-diphenylmethane diisocyanate (MDI) and propylene diamine (PDA), a chain extender. Their structure,property relationships were studied, mainly focused on effects of molecular weight and alkylene chain length of the POD. The synthesized PEUs were buried in compost soil at 30°C and incubated to conveniently evaluate their biodegradability. Their hydrolytic characteristics were also examined, and what made poly(oxalate-urethane) (POU) biodegradable was discussed. Poly(oxalate carbonate-urethane) (POCU), which can be produced adding a polycarbonate diol (PCD) into the POD and then copolymerizing them with DMO, provided biodegradable polyurethanes with mechanical properties appropriate for practical uses. In addition, the microstructure of these copolyurethanes was characterized. POLYM. ENG. SCI., 45:163,173, 2005. © 2005 Society of Plastics Engineers. [source] Impact fracture behavior of PP/EPDM/glass bead ternary compositesPOLYMER ENGINEERING & SCIENCE, Issue 9 2000J. Z. Liang The effects of glass bead filler content and surface treatment of the glass with a silane coupling agent on the room temperature impact fracture behavior of polypropylene (PP)/ethylene-propylene-diene monomer copolymer (EPDM)/glass bead(GB) ternary composites were determined. The volume fraction of EPDM was kept constant at 10%. The impact fracture energy and impact strength of the composites increased with increasing volume fraction of glass beads (,g). Surface pretreatment of the glass beads had an insignificant effect on the impact behavior. For a fixed filler content, the best impact strength was achieved when untreated glass beads and a maleic anhydride modified EPDM were used. The impact strength exhibited a maximum value at ,g=15%. Morphology/impact property relationships and an explanation of the toughening mechanisms were developed by comparing the impact properties with scanning electron micrographs of fracture surfaces. [source] Surface tension of poly(ester urethane)s and poly(ether urethane)sPOLYMER INTERNATIONAL, Issue 3 2007Mihaela Lupu Abstract The correlation between the surface tension parameters and the chemical composition of poly(ester urethane) and poly(ether urethane) thin films with different soft and hard segments, both before and after plasma treatment, was investigated. Calculations are based on the geometric mean approach of Owens and Wendt (Owens DK and Wendt RC, J Appl Polym Sci13:1741 (1969)), Rabel (Rabel W, Physikalische Blätter33:151 (1977)) and Kälble (Kälble DH, J Adhesion1:102 (1969)), on the Lifshitz,van der Waals acid/base approach of van Oss and co-workers (van Oss CJ, Good RJ and Chaudhury MK, Langmuir4:884 (1988); van Oss CJ, Ju L, Chaudhury MK and Good RJ, Chem Rev88:927 (1988); van Oss CJ, Interfacial Forces in Aqueous Media. Marcel Dekker, New York (1994)) and on the theoretical methods involving quantitative structure,property relationships (Bicerano J, JMS Rev Macromol Chem PhysC36:161 (1996)). For all investigated films, the polar terms contribute significantly to the total surface tensions, as due to the large electron donor, , interactions. Plasma treatment alters the surface energy of samples by changing their surface polarity and hydrophilicity. The hydrophilicity trends for polyurethanes were also studied by means of the free energy of hydration between compounds and water. Preliminary blood contact tests of the selected polyurethane sample with higher hydrophilicity were developed for biomedical applications. Copyright © 2006 Society of Chemical Industry [source] Structure,property relationships for film-forming copoly(amide imide)sPOLYMERS FOR ADVANCED TECHNOLOGIES, Issue 2 2003Valery P. Privalko Abstract Thin films of copoly(amide imide)s (coPAIs) from dichloro-dianhydride of trimellitimide- N -acetic acid and mixtures of diphenylmethane diamine (DPA) and cardo 9,9,-bis-phenylfluorene diamine (CDA) cast from solutions in dimethylacetamide (DMAA) were characterized by wide-angle and small-angle X-ray scattering (WAXS and SAXS), dynamic mechanical thermal analysis (DMTA) (temperature interval: 293,703,K, frequency range: 1,100,Hz), and thermogravimetric analysis (TGA) (nitrogen flux, temperature interval: 303,973 K). The mean interchain spacings (WAXS) smoothly increased with the CDA/DPA molar ratio from 0.55,nm for CDA/DPA,=,0/1 up to 0.60,nm for CDA/DPA,=,1/0. The smooth patterns of the SAXS curves for all coPAIs were explained by the smearing-out of electron density differences between densely-packed and loosely-packed microregions of coPAIs due to the wide dispersion of their sizes. The step-like patterns of the TGA traces in the temperature intervals below and above 600,K were associated with successive weight losses due to the evaporation of residual water and of DMAA, and to the thermal degradation of diamine and dianhydride chain fragments, respectively. As could be inferred from the TGA data, the loosely-packed regions comprise about 25,35% of the total volume of studied coPAIs. The mechanical relaxations observed in all coPAIs at T,,<,T,,,<,T, (DMA) were attributed to the onset of non-cooperative segment motion in loosely-packed regions, of cooperative segment motion in loosely-packed regions, and of cooperative segment motion in densely-packed regions, respectively. At constant frequency, the sub-glass relaxations were roughly composition-independent, while chain-stiffening effect was assumed to be responsible for the smooth increase of T,, and T,, as well as of the corresponding apparent activation energies with the CDA/DPA ratio. Copyright © 2003 John Wiley & Sons, Ltd. [source] Process,structure,property relationships of erodable polymeric biomaterials, I: Poly(desaminotyrosyl arylates),POLYMERS FOR ADVANCED TECHNOLOGIES, Issue 10-12 2002Michael Jaffe Abstract Polymeric biomaterials, especially new compositions, are often tested for biocompatibility, bioerosion rate or cell growth specificity without regard to the morphological structures introduced during materials processing. It will be shown that in addition to the potential influence on biological response, processing induced structure profoundly influences materials properties under bio-relevant conditions. Using a combinatorial library of erodable Polyarylates, these issues will be explored with emphasis on in-vivo dimensional stability and mechanical property retention. Copyright © 2003 John Wiley & Sons, Ltd. [source] Ferrocenyl-Ended Thieno,Vinylene Oligomers: Donor,Acceptor Polarization and Mixed-Valence Properties with Emphasis on the Raman Mapping of Localized-to-Delocalized TransitionsCHEMISTRY - A EUROPEAN JOURNAL, Issue 11 2009Juan Casado Dr. Abstract What's your role? New oligothiophene,vinylene compounds have been synthesized to study the role of the conjugated chain in two different cases (see scheme; MV=mixed valence). The electronic and molecular structures were analyzed by means of electronic, X-ray photoelectron, and Raman spectroscopy, together with thermo spectroscopy, electrochemistry, and DFT calculations. New oligothiophene,vinylene compounds have been synthesized in order to study the role of the conjugated chain in two different cases: 1),when push,pull action operates between an electron-donor and an electron-acceptor group at the ends of the thiophene,vinylene conjugated chain, and 2),when mixed-valence action is induced by single oxidation of the same chain functionalized at both terminal positions with ferrocene groups leading to competition between the donor groups. The electronic and molecular structures are analyzed by means of electronic, X-ray photoelectron and Raman spectroscopies, together with thermospectroscopy, electrochemistry and density functional theory calculations. The cyclic voltammetry processes have been followed by spectrochemistry. It is shown that the radical cation of the diferrocenyl derivative is a class,III mixed-valence system (i.e., fully delocalized) according to its Raman spectrum. Moreover, by Raman thermo-spectroscopy the thermal transition of this radical cation from a delocalized (class,III, room temperature) to a localized (class,II, ,160,°C) state is scanned. In all cases the Raman study is paralleled by an electronic absorption spectroscopic analysis. Structure,property relationships are proposed for molecules of two important fields of very active research as that of the non-linear optics (i.e., organic optoelectronic) and that of the mixed-valence systems (i.e., charge-transfer processes). [source] | ||||||||||||||||||||||||||||