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Property Correlations (property + correlation)
Selected AbstractsNanocrystal Shape Control: Synthesis and Structure,Property Correlation in Shape-Controlled ZnO Nanoparticles Prepared by Chemical Vapor Synthesis and their Application in Dye-Sensitized Solar Cells (Adv. Funct.ADVANCED FUNCTIONAL MATERIALS, Issue 6 2009Mater. Chemical vapor synthesis is a convenient one-step synthesis process for the production of nanocrystalline powders. On page 875, Bacsa et al. report that by controlled variation of experimental parameters, tetrapods (as in image) or spherical ZnO nanocrystals can be selectively obtained directly from Zn metal precursor. Shape control leads to improved optical properties and a better performance when applied as electrodes in dye sensitized solar cells. [source] Synthesis and Structure,Property Correlation in Shape-Controlled ZnO Nanoparticles Prepared by Chemical Vapor Synthesis and their Application in Dye-Sensitized Solar CellsADVANCED FUNCTIONAL MATERIALS, Issue 6 2009Revathi R. Bacsa Abstract Here, the large scale synthesis of nanocrystalline ZnO spheres and tetrapods in the size range of 8,40,nm by chemical vapor synthesis using zinc metal as precursor is described. A detailed study of the effect of experimental parameters on the morphology and yield is presented. High-resolution transmission electron microscopy images of the tetrapods show that they are formed by the self assembly of four nanorods in the vapor phase. The tetrapods have optical absorption coefficients that are one order of magnitude greater than the spheres and show intense UV luminescence whereas the spheres show only the green emission. The observed differences in the optical properties are related to the presence of surface defects present in the nanospheres. The tetrapods have increased efficiencies for application in dye sensitized solar cells when compared to spheres. [source] Microstructure,Property Correlations in Industrial Thermal Barrier CoatingsJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 7 2004Anand A. Kulkarni This paper describes the results from multidisciplinary characterization/scattering techniques used for the quantitative characterization of industrial thermal barrier coating (TBC) systems used in advanced gas turbines. While past requirements for TBCs primarily addressed the function of insulation/life extension of the metallic components, new demands necessitate a requirement for spallation resistance/strain tolerance, i.e., prime reliance, on the part of the TBC. In an extensive effort to incorporate these TBCs, a design-of-experiment approach was undertaken to develop tailored coating properties by processing under varied conditions. Efforts focusing on achieving durable/high-performance coatings led to dense vertically cracked (DVC) TBCs, exhibiting quasi-columnar microstructures approximating electron-beam physical-vapor-deposited (EB-PVD) coatings. Quantitative representation of the microstructural features in these vastly different coatings is obtained, in terms of porosity, opening dimensions, orientation, morphologies, and pore size distribution, by means of small-angle neutron scattering (SANS) and ultra-small-angle X-ray scattering (USAXS) studies. Such comprehensive characterization, coupled with elastic modulus and thermal conductivity measurements of the coatings, help establish relationships between microstructure and properties in a systematic manner. [source] Structure,property correlation over five phases and four transitions in Pb5Al3F19ACTA CRYSTALLOGRAPHICA SECTION B, Issue 5 2003S. C. Abrahams The calorimetric and dielectric properties of Pb5Al3F19 in the five phases stable under ambient pressure are correlated with structure for fuller characterization of each phase. The first-order transition between ferroelectric phase V and antiferroelectric phase IV at TV,IV = 260,(5),K exhibits a thermal hysteresis of 135,(5),K on heating, with a maximum atomic displacement ,(xyz)max = 1.21,(6),Å; the transition from phase IV to ferroelastic phase III at 315,(5),K is also first order but with a thermal hysteresis of 10,(5),K and ,(xyz)max = 0.92,(7) ,Å; that from phase III to paraelastic phase II at 360,(5),K is second order without hysteresis and has ,(xyz)max = 0.69,(4),Å; and the transition from phase II to paraelectric phase I at 670,(5),K is second or higher order, with ,(xyz)max = 0.7,(4),Å. The measured entropy change ,S at TV,IV agrees well with ,S as derived from the increased configurational energy by Stirling's approximation. For all other phase transitions, 0.5 ,,S > 0,J,mol,1,K,1 is consistent with an entropy change caused primarily by the changes in the vibrational energy. The structure of phase III is determined both by group theoretical/normal mode analysis and by consideration of the structures of phases II, IV and V reported previously; refinement is by simultaneous Rietveld analysis of the X-ray and neutron diffraction powder profiles. The structure of prototypic phase I is predicted on the basis of the atomic arrangement in phases II, III, IV and V. The introduction of 3d electrons into the Pb5Al3F19 lattice disturbs the structural equilibrium, the addition of 0.04% Cr3+ causing significant changes in atomic positions and increasing TIV,III by ,15,K. Substitution of Al3+ by 20% or more Cr3+ eliminates the potential minima that otherwise stabilize phases IV, III and II. [source] New strategies for polymer development in pharmaceutical science , a short reviewJOURNAL OF PHARMACY AND PHARMACOLOGY: AN INTERNATI ONAL JOURNAL OF PHARMACEUTICAL SCIENCE, Issue 9 2001A. Godwin We are developing synthetic polymers for pharmaceutical and medical applications. These applications can be broadly grouped on how the polymer will be utilized e.g. material, excipient or molecule. Our focus is to develop polymers with more defined structures that are based on biological, physicochemical and/or materials criteria. Strategies are being developed to more efficiently optimize structure,property correlations during preclinical development. We describe two examples of our research on pharmaceutical polymer development: narrow molecular weight distribution (MWD) homopolymeric precursors which can be functionalized to give families of narrow MWD homo- and co-polymers, and hydrolytically degradable polymers. [source] Structure,property correlations of sulfonated polyimides.JOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 14 2004Abstract A series of six-membered sulfonated polyimides were synthesized using 1,4,5,8-naphthalenetetracarboxylic dianhydride, 4,4,-diaminobiphenyl 2,2,-disulfonic acid as the sulfonated diamine, and various nonsulfonated diamine monomers having different bridging groups. These bulky bridging groups have the capacity to increase hydrolytic stability and proton conductivity. Polyimides with bulky bridging groups showed increased solubility but exhibited lower thermal stability. The ion exchange capacity and water uptake reduced with increase in the bulkiness of the bridging group. This was attributed to the increase in the molecular weight of the repeating unit and hence effectively reduced the sulfonic acid content. In low temperatures, the conductivity was lower than Nafion®115 and, with increase in temperature, the conductivity rapidly increased and exhibited better conductivity than Nafion®115. Polyimides with bulky bridging groups 4-amino phenyl sulfone, and 2-bis[4-(4-aminophenoxy)phenyl]hexafluoropropane showed higher conductivity than other polyimides and Nafion®115 despite low ion exchange capacity. The hydrolytic stability of the polyimides with bulky bridging groups was higher than the polyimides with less bulky atoms because of the imparted flexibility. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3612,3620, 2004 [source] Cobalt Coordination and Clustering in ,-Co(OH)2 Revealed by Synchrotron X-ray Total ScatteringCHEMISTRY - A EUROPEAN JOURNAL, Issue 33 2010James Abstract Structures of layered metal hydroxides are not well described by traditional crystallography. Total scattering from a synthesis-controlled subset of these materials, as described here, reveals that different cobalt coordination polyhedra cluster within each layer on short length scales, offering new insights and approaches for understanding the properties of these and related layered materials. Structures related to that of brucite [Mg(OH)2] are ubiquitous in the mineral world and offer a variety of useful functions ranging from catalysis and ion-exchange to sequestration and energy transduction, including applications in batteries. However, it has been difficult to resolve the atomic structure of these layered compounds because interlayer disorder disrupts the long-range periodicity necessary for diffraction-based structure determination. For this reason, traditional unit-cell-based descriptions have remained inaccurate. Here we apply, for the first time to such layered hydroxides, synchrotron X-ray total scattering methods,analyzing both the Bragg and diffuse components,to resolve the intralayer structure of three different ,-cobalt hydroxides, revealing the nature and distribution of metal site coordination. The different compounds with incorporated chloride ions have been prepared with kinetic control of hydrolysis to yield different ratios of octahedrally and tetrahedrally coordinated cobalt ions within the layers, as confirmed by total scattering. Real-space analyses indicate local clustering of polyhedra within the layers, manifested in the weighted average of different ordered phases with fixed fractions of tetrahedrally coordinated cobalt sites. These results, hidden from an averaged unit-cell description, reveal new structural characteristics that are essential to understanding the origin of fundamental material properties such as color, anion exchange capacity, and magnetic behavior. Our results also provide further insights into the detailed mechanisms of aqueous hydrolysis chemistry of hydrated metal salts. We emphasize the power of the methods used here for establishing structure,property correlations in functional materials with related layered structures. [source] | |||||||||||||